2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide

C14H12N4OS2 — CID 1453072

IUPAC2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2nsc3c(SCC(N)=O)ncnc23)cc1
InChIInChI=1S/C14H12N4OS2/c1-8-2-4-9(5-3-8)11-12-13(21-18-11)14(17-7-16-12)20-6-10(15)19/h2-5,7H,6H2,1H3,(H2,15,19)
InChIKeyCHSPNSLNTAKWBU-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.64
Rot. Bonds4

About 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide

2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide (PubChem CID 1453072) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
PubChem CID1453072
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC Name2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2nsc3c(SCC(N)=O)ncnc23)cc1
InChIInChI=1S/C14H12N4OS2/c1-8-2-4-9(5-3-8)11-12-13(21-18-11)14(17-7-16-12)20-6-10(15)19/h2-5,7H,6H2,1H3,(H2,15,19)
InChIKeyCHSPNSLNTAKWBU-UHFFFAOYSA-N
XLogP2.64
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide (CID 1453072) is 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide is Cc1ccc(-c2nsc3c(SCC(N)=O)ncnc23)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide?
The InChIKey is CHSPNSLNTAKWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS2/c1-8-2-4-9(5-3-8)11-12-13(21-18-11)14(17-7-16-12)20-6-10(15)19/h2-5,7H,6H2,1H3,(H2,15,19).
What are the key properties of 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide?
2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide is sourced from PubChem (CID 1453072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).