2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine

C165H169ClN44O7S — CID 160932787

About 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine

2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (PubChem CID 160932787) has the molecular formula C165H169ClN44O7S and a molecular weight of 2947.99 g/mol. Its IUPAC name is 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
• PubChem CID: 160932787
• Molecular Formula: C165H169ClN44O7S
• Molecular Weight: 2947.99 g/mol
• Exact Mass: 2945.36
• IUPAC Name: 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine
• SMILES: Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(Cl)s1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1
• InChI: InChI=1S/2C10H11N3.5C10H10N2.C9H10N4.3C9H9N3O.3C9H9N3.C9H8N2O2.2C9H10N2O.C5H5ClS/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-4-2-3-5(6)7-4/h2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);3*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-5H,1H3,(H,10,11,12);2*2-4H,5H2,1H3,(H2,10,11);2-3H,1H3
• InChIKey: STMBKRFCXIKSOC-UHFFFAOYSA-N
• XLogP: 29.27
• TPSA: 896.36 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 45
• Rotatable Bonds: 4
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2947.99
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The IUPAC name of 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine (CID 160932787) is 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine.

What is the SMILES notation for 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The canonical SMILES for 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine is Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1.Cc1ccc(Cl)s1.Cc1ccc2c(N)cncc2c1.Cc1ccc2c(N)nc(N)cc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2cc(N)nc(N)c2c1.Cc1ccc2ccc(N)nc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cncc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2nc(N)ccc2c1.Cc1ccc2ncnc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1ccccc1-c1n[nH]c(=O)[nH]1.

What is the InChIKey of 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

The InChIKey is STMBKRFCXIKSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11N3.5C10H10N2.C9H10N4.3C9H9N3O.3C9H9N3.C9H8N2O2.2C9H10N2O.C5H5ClS/c1-6-2-3-8-7(4-6)5-9(11)13-10(8)12;1-6-2-3-7-5-9(11)13-10(12)8(7)4-6;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-9-8(4-7)5-12-6-10(9)11;1-7-2-3-8-5-12-6-10(11)9(8)4-7;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-7-2-3-8-4-5-10(11)12-9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-4-7(5-3-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-4-2-3-5-7(6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-4-2-3-5(6)7-4/h2*2-5H,1H3,(H4,11,12,13);2-6H,1H3,(H2,11,12);2*2-6H,11H2,1H3;2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);3*2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2-5H,1H3,(H,10,11,12);2*2-4H,5H2,1H3,(H2,10,11);2-3H,1H3.

What are the key properties of 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine?

2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine has a molecular weight of 2947.99 g/mol, XLogP of 29.27, 4 rotatable bonds, 23 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methylthiophene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;3-(2-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(4-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine is sourced from PubChem (CID 160932787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).