2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide

C9H8ClN5OS — CID 154628232

IUPAC2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Cl)nc1NCc1nccs1
InChIInChI=1S/C9H8ClN5OS/c10-9-14-3-5(7(11)16)8(15-9)13-4-6-12-1-2-17-6/h1-3H,4H2,(H2,11,16)(H,13,14,15)
InChIKeyBWLOXVBDPWZSGR-UHFFFAOYSA-N
MW269.72 g/mol
LogP1.30
Rot. Bonds4

About 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide

2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 154628232) has the molecular formula C9H8ClN5OS and a molecular weight of 269.72 g/mol. Its IUPAC name is 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID154628232
Molecular FormulaC9H8ClN5OS
Molecular Weight269.72 g/mol
Exact Mass269.01
IUPAC Name2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Cl)nc1NCc1nccs1
InChIInChI=1S/C9H8ClN5OS/c10-9-14-3-5(7(11)16)8(15-9)13-4-6-12-1-2-17-6/h1-3H,4H2,(H2,11,16)(H,13,14,15)
InChIKeyBWLOXVBDPWZSGR-UHFFFAOYSA-N
XLogP1.30
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide 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

2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628333
4-(but-3-enylamino)-2-chloropyrimidine-5-carboxamide
CID 138495192
2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
CID 154628278
2-chloro-4-[(5-chloro-2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628189
2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide
CID 154628246
2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate
CID 142587312
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808035
1-(1,3-thiazol-2-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766776
carboxy-[carboxy-[2-chloro-5-fluoro-6-(1,3-thiazol-2-ylmethylamino)pyrimidin-4-yl]amino]carbamic acid
CID 87453405
3-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 62709979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide (CID 154628232) is 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(Cl)nc1NCc1nccs1.
What is the InChIKey of 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is BWLOXVBDPWZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5OS/c10-9-14-3-5(7(11)16)8(15-9)13-4-6-12-1-2-17-6/h1-3H,4H2,(H2,11,16)(H,13,14,15).
What are the key properties of 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide?
2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 269.72 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 154628232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).