ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate

C10H8ClN3O2S — CID 59864679

IUPACethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1ncccn1
InChIInChI=1S/C10H8ClN3O2S/c1-2-16-9(15)7-6(14-10(11)17-7)8-12-4-3-5-13-8/h3-5H,2H2,1H3
InChIKeyOPVAQIZAVJYLOQ-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.43
Rot. Bonds3

About ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate

ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 59864679) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID59864679
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Nameethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1ncccn1
InChIInChI=1S/C10H8ClN3O2S/c1-2-16-9(15)7-6(14-10(11)17-7)8-12-4-3-5-13-8/h3-5H,2H2,1H3
InChIKeyOPVAQIZAVJYLOQ-UHFFFAOYSA-N
XLogP2.43
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate 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

Ethyl 4-methyl-2-(2-pyrimidin-2-ylthioacetylamino)-1,3-thiazole-5-carboxylate
CID 6468409
Propan-2-yl 4-pyrimidin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134133515
4-Methyl-2-(2-pyrimidinyl)-5-thiazolecarboxylic acid
CID 43622194
2-Pyrimidin-2-yl-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester
CID 59579876
2-Pyrimidin-2-yl-4-trifluoromethyl-thiazole-5-carboxylic acid
CID 59580006
ethyl 2-[(1S)-1-[(5-chloropyrimidin-2-yl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 97223306
Ethyl 2-(1,3-thiazol-4-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972633
Ethyl 4-(difluoromethyl)-2-(1,3-thiazol-4-yl)pyrimidine-5-carboxylate
CID 102973309
Ethyl 2-chloro-4-(1-methylimidazol-2-yl)-1,3-thiazole-5-carboxylate
CID 58066090
Methyl 2-chloro-4-(1-methyl-1h-imidazol-2-yl)-1,3-thiazole-5-carboxylate
CID 59208333
Methyl 2-chloro-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carboxylate
CID 59208447
Methyl 2-chloro-4-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]-1,3-thiazole-5-carboxylate
CID 59402450

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate (CID 59864679) is ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1-c1ncccn1.
What is the InChIKey of ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is OPVAQIZAVJYLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-2-16-9(15)7-6(14-10(11)17-7)8-12-4-3-5-13-8/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 269.71 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-pyrimidin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).