2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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

C169H178ClFN38O6S — CID 157170378

About 2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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 157170378) has the molecular formula C169H178ClFN38O6S and a molecular weight of 2924.06 g/mol. Its IUPAC name is 2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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: 157170378
• Molecular Formula: C169H178ClFN38O6S
• Molecular Weight: 2924.06 g/mol
• Exact Mass: 2921.42
• IUPAC Name: 2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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: COc1ccc(C)cn1.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.Cc1ccccc1F.[H]/N=C(\NC(=O)OCC)c1cccc(C)c1.[H]/N=C(\NC(=O)c1ccccc1)c1cccc(C)c1
• InChI: InChI=1S/C15H14N2O.C11H14N2O2.2C10H11N3.5C10H10N2.C9H10N4.3C9H9N3.2C9H10N2O.C7H7F.C7H9NO.C5H5ClS/c1-11-6-5-9-13(10-11)14(16)17-15(18)12-7-3-2-4-8-12;1-3-15-11(14)13-10(12)9-6-4-5-8(2)7-9;1-6-2-3-8-7(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;1-6-2-3-8-7(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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-6-4-2-3-5-7(6)8;1-6-3-4-7(9-2)8-5-6;1-4-2-3-5(6)7-4/h2-10H,1H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,12,13,14);2*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);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);2-5H,1H3;3-5H,1-2H3;2-3H,1H3
• InChIKey: ANJXVZHRJMAOPF-UHFFFAOYSA-N
• XLogP: 33.06
• TPSA: 790.10 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 43
• Rotatable Bonds: 5
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2924.06
LogP ≤ 5	33.06
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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 157170378) is 2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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 COc1ccc(C)cn1.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.Cc1ccccc1F.[H]/N=C(\NC(=O)OCC)c1cccc(C)c1.[H]/N=C(\NC(=O)c1ccccc1)c1cccc(C)c1.

What is the InChIKey of 2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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 ANJXVZHRJMAOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.C11H14N2O2.2C10H11N3.5C10H10N2.C9H10N4.3C9H9N3.2C9H10N2O.C7H7F.C7H9NO.C5H5ClS/c1-11-6-5-9-13(10-11)14(16)17-15(18)12-7-3-2-4-8-12;1-3-15-11(14)13-10(12)9-6-4-5-8(2)7-9;1-6-2-3-8-7(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;1-6-2-3-8-7(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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-6-4-2-3-5-7(6)8;1-6-3-4-7(9-2)8-5-6;1-4-2-3-5(6)7-4/h2-10H,1H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,12,13,14);2*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);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);2-5H,1H3;3-5H,1-2H3;2-3H,1H3.

What are the key properties of 2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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 2924.06 g/mol, XLogP of 33.06, 5 rotatable bonds, 20 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methylthiophene;ethyl N-(3-methylbenzenecarboximidoyl)carbamate;1-fluoro-2-methylbenzene;2-methoxy-5-methylpyridine;N-(3-methylbenzenecarboximidoyl)benzamide;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;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 157170378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).