2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide

C9H8N4OS3 — CID 142921691

IUPAC2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide
SMILESO=C(CSc1ncc(-c2ccncn2)s1)NS
InChIInChI=1S/C9H8N4OS3/c14-8(13-15)4-16-9-11-3-7(17-9)6-1-2-10-5-12-6/h1-3,5,15H,4H2,(H,13,14)
InChIKeyQLJNOPNLOQPLIW-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.65
Rot. Bonds4

About 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide

2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide (PubChem CID 142921691) has the molecular formula C9H8N4OS3 and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide.

Molecular Properties

Compound Name2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide
PubChem CID142921691
Molecular FormulaC9H8N4OS3
Molecular Weight284.39 g/mol
Exact Mass283.99
IUPAC Name2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide
SMILESO=C(CSc1ncc(-c2ccncn2)s1)NS
InChIInChI=1S/C9H8N4OS3/c14-8(13-15)4-16-9-11-3-7(17-9)6-1-2-10-5-12-6/h1-3,5,15H,4H2,(H,13,14)
InChIKeyQLJNOPNLOQPLIW-UHFFFAOYSA-N
XLogP1.65
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine
CID 447956
4-(2-Amino-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 13582275
2-Amino-5-thio-substituted thiazole 61
CID 5329697
CID 447957
CID 447957
N'-(4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl)-N-hydroxyimidoformamide
CID 9547884
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2594420
2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 665184
N-(4-fluorophenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9965312
4-(dimethyl-1,3-thiazol-5-yl)-N-methylpyrimidin-2-amine
CID 6539278
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
CID 1096276
Amino pyrimidine, 6
CID 2744836
N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 888679

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide?
The IUPAC name of 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide (CID 142921691) is 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide.
What is the SMILES notation for 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide?
The canonical SMILES for 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide is O=C(CSc1ncc(-c2ccncn2)s1)NS.
What is the InChIKey of 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide?
The InChIKey is QLJNOPNLOQPLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS3/c14-8(13-15)4-16-9-11-3-7(17-9)6-1-2-10-5-12-6/h1-3,5,15H,4H2,(H,13,14).
What are the key properties of 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide?
2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide has a molecular weight of 284.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyrimidin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide is sourced from PubChem (CID 142921691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).