5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine

C8H7ClN4S2 — CID 80886316

IUPAC5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Sc2nccs2)n1
InChIInChI=1S/C8H7ClN4S2/c1-10-7-12-4-5(9)6(13-7)15-8-11-2-3-14-8/h2-4H,1H3,(H,10,12,13)
InChIKeyOGKOMGQHSVUHMF-UHFFFAOYSA-N
MW258.76 g/mol
LogP2.78
Rot. Bonds3

About 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine

5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 80886316) has the molecular formula C8H7ClN4S2 and a molecular weight of 258.76 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID80886316
Molecular FormulaC8H7ClN4S2
Molecular Weight258.76 g/mol
Exact Mass257.98
IUPAC Name5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCNc1ncc(Cl)c(Sc2nccs2)n1
InChIInChI=1S/C8H7ClN4S2/c1-10-7-12-4-5(9)6(13-7)15-8-11-2-3-14-8/h2-4H,1H3,(H,10,12,13)
InChIKeyOGKOMGQHSVUHMF-UHFFFAOYSA-N
XLogP2.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-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

5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
N-methyl-5-nitro-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 114044807
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 79073930
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808035
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80891170
5-chloro-N-methyl-4-(2-methylbutylsulfanyl)pyrimidin-2-amine
CID 107765747
6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
CID 115474613
5-chloro-N-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)pyrimidin-2-amine
CID 80882452
N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80886227
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole
CID 83266672
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 62481603

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine (CID 80886316) is 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine is CNc1ncc(Cl)c(Sc2nccs2)n1.
What is the InChIKey of 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is OGKOMGQHSVUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S2/c1-10-7-12-4-5(9)6(13-7)15-8-11-2-3-14-8/h2-4H,1H3,(H,10,12,13).
What are the key properties of 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine?
5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 258.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80886316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).