methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate

C17H15ClN4O4S — CID 166340030

IUPACmethyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1sncc1C1NC(=O)NC(C)=C1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O4S/c1-8-12(15(23)21-10-5-3-4-9(18)6-10)13(22-17(25)20-8)11-7-19-27-14(11)16(24)26-2/h3-7,13H,1-2H3,(H,21,23)(H2,20,22,25)
InChIKeyGMOXPEOPROCYSG-UHFFFAOYSA-N
MW406.85 g/mol
LogP2.85
Rot. Bonds4

About methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate

methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate (PubChem CID 166340030) has the molecular formula C17H15ClN4O4S and a molecular weight of 406.85 g/mol. Its IUPAC name is methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate
PubChem CID166340030
Molecular FormulaC17H15ClN4O4S
Molecular Weight406.85 g/mol
Exact Mass406.05
IUPAC Namemethyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1sncc1C1NC(=O)NC(C)=C1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN4O4S/c1-8-12(15(23)21-10-5-3-4-9(18)6-10)13(22-17(25)20-8)11-7-19-27-14(11)16(24)26-2/h3-7,13H,1-2H3,(H,21,23)(H2,20,22,25)
InChIKeyGMOXPEOPROCYSG-UHFFFAOYSA-N
XLogP2.85
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-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

(4S)-N-(3-chlorophenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124297
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8812872
(4S)-N-(3-chlorophenyl)-4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124503
(4R)-4-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 51564802
4-(2,4-dichlorophenyl)-6-methyl-N-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3355992
4-(2-methoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 19616192
(4S)-4-(2,3-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1103314
N,4-bis(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23733391
(4R)-N-(3-chlorophenyl)-6-methyl-2-sulfanylidene-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1350708
acetic acid;4-(2,4-dichlorophenyl)-6-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2980594
(4R)-N-(3-chlorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 27087940

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate (CID 166340030) is methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate is COC(=O)c1sncc1C1NC(=O)NC(C)=C1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate?
The InChIKey is GMOXPEOPROCYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S/c1-8-12(15(23)21-10-5-3-4-9(18)6-10)13(22-17(25)20-8)11-7-19-27-14(11)16(24)26-2/h3-7,13H,1-2H3,(H,21,23)(H2,20,22,25).
What are the key properties of methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate?
methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate has a molecular weight of 406.85 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(3-chlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 166340030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).