8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine

C13H10N6S2 — CID 58893108

IUPAC8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine
SMILESCc1nc(N)c2[nH]c(Sc3nc4ccccc4s3)nc2n1
InChIInChI=1S/C13H10N6S2/c1-6-15-10(14)9-11(16-6)19-12(18-9)21-13-17-7-4-2-3-5-8(7)20-13/h2-5H,1H3,(H3,14,15,16,18,19)
InChIKeyJUJVEWPRKHCBIL-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.00
Rot. Bonds2

About 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine

8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine (PubChem CID 58893108) has the molecular formula C13H10N6S2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine
PubChem CID58893108
Molecular FormulaC13H10N6S2
Molecular Weight314.40 g/mol
Exact Mass314.04
IUPAC Name8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine
SMILESCc1nc(N)c2[nH]c(Sc3nc4ccccc4s3)nc2n1
InChIInChI=1S/C13H10N6S2/c1-6-15-10(14)9-11(16-6)19-12(18-9)21-13-17-7-4-2-3-5-8(7)20-13/h2-5H,1H3,(H3,14,15,16,18,19)
InChIKeyJUJVEWPRKHCBIL-UHFFFAOYSA-N
XLogP3.00
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(7-fluoro-1,3-benzothiazol-2-yl)sulfanyl]-7H-purin-6-amine
CID 174575435
8-[(7-bromo-1,3-benzothiazol-2-yl)sulfanyl]-7H-purin-6-amine
CID 141197482
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80991079
6-(1,3-benzothiazol-2-ylsulfanyl)-7H-purin-2-amine
CID 114788221
1-[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814574
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189263
3-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoroaniline
CID 60875381
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine?
The IUPAC name of 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine (CID 58893108) is 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine.
What is the SMILES notation for 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine?
The canonical SMILES for 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine is Cc1nc(N)c2[nH]c(Sc3nc4ccccc4s3)nc2n1.
What is the InChIKey of 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine?
The InChIKey is JUJVEWPRKHCBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S2/c1-6-15-10(14)9-11(16-6)19-12(18-9)21-13-17-7-4-2-3-5-8(7)20-13/h2-5H,1H3,(H3,14,15,16,18,19).
What are the key properties of 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine?
8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine has a molecular weight of 314.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-7H-purin-6-amine is sourced from PubChem (CID 58893108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).