2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C19H18N4O3S — CID 70768557

IUPAC2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(-c2ncc(CNC(=O)c3cnc(C4CC4)[nH]c3=O)s2)c1
InChIInChI=1S/C19H18N4O3S/c1-26-13-4-2-3-12(7-13)19-22-9-14(27-19)8-21-17(24)15-10-20-16(11-5-6-11)23-18(15)25/h2-4,7,9-11H,5-6,8H2,1H3,(H,21,24)(H,20,23,25)
InChIKeySZQAESZLSXJRAE-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.71
Rot. Bonds6

About 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70768557) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70768557
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(-c2ncc(CNC(=O)c3cnc(C4CC4)[nH]c3=O)s2)c1
InChIInChI=1S/C19H18N4O3S/c1-26-13-4-2-3-12(7-13)19-22-9-14(27-19)8-21-17(24)15-10-20-16(11-5-6-11)23-18(15)25/h2-4,7,9-11H,5-6,8H2,1H3,(H,21,24)(H,20,23,25)
InChIKeySZQAESZLSXJRAE-UHFFFAOYSA-N
XLogP2.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-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

N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863
cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 133136628
(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
CID 95868234
2-cyclopropyl-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 74247263
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
2-cyclohexyl-6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947628
2-cyclopropyl-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 119059165
(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 124847125
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70768557) is 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is COc1cccc(-c2ncc(CNC(=O)c3cnc(C4CC4)[nH]c3=O)s2)c1.
What is the InChIKey of 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SZQAESZLSXJRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-26-13-4-2-3-12(7-13)19-22-9-14(27-19)8-21-17(24)15-10-20-16(11-5-6-11)23-18(15)25/h2-4,7,9-11H,5-6,8H2,1H3,(H,21,24)(H,20,23,25).
What are the key properties of 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70768557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).