5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine

C66H70N18O2S2 — CID 161366505

About 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine

5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine (PubChem CID 161366505) has the molecular formula C66H70N18O2S2 and a molecular weight of 1211.54 g/mol. Its IUPAC name is 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine.

Molecular Properties

• Compound Name: 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine
• PubChem CID: 161366505
• Molecular Formula: C66H70N18O2S2
• Molecular Weight: 1211.54 g/mol
• Exact Mass: 1210.54
• IUPAC Name: 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine
• SMILES: Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1
• InChI: InChI=1S/2C9H10N2.2C8H9N3.2C8H8N2O.2C8H8N2S/c1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h2*2-4H,5H2,1H3,(H2,10,11);2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10)
• InChIKey: VPWPEIVNBGJZFH-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 368.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1211.54
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?

The IUPAC name of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine (CID 161366505) is 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine.

What is the SMILES notation for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?

The canonical SMILES for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine is Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2c(N)n[nH]c2c1.Cc1ccc2c(N)noc2c1.Cc1ccc2c(N)nsc2c1.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2c(c1)CN=C2N.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.

What is the InChIKey of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?

The InChIKey is VPWPEIVNBGJZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2.2C8H9N3.2C8H8N2O.2C8H8N2S/c1-6-2-3-8-7(4-6)5-11-9(8)10;1-6-2-3-7-5-11-9(10)8(7)4-6;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-6-7(4-5)10-11-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9;1-5-2-3-7-6(4-5)8(9)10-11-7;1-5-2-3-6-7(4-5)11-10-8(6)9/h2*2-4H,5H2,1H3,(H2,10,11);2*2-4H,1H3,(H3,9,10,11);4*2-4H,1H3,(H2,9,10).

What are the key properties of 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine?

5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine has a molecular weight of 1211.54 g/mol, XLogP of 13.15, 0 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine is sourced from PubChem (CID 161366505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).