N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide

C18H19N5O3S — CID 90506217

IUPACN-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2csc(Nc3nc(C)cc(C)n3)n2)c1
InChIInChI=1S/C18H19N5O3S/c1-10-7-11(2)20-17(19-10)23-18-22-14(9-27-18)16(24)21-13-8-12(25-3)5-6-15(13)26-4/h5-9H,1-4H3,(H,21,24)(H,19,20,22,23)
InChIKeyQPGQFFRPLYHKMD-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.56
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90506217) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID90506217
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2csc(Nc3nc(C)cc(C)n3)n2)c1
InChIInChI=1S/C18H19N5O3S/c1-10-7-11(2)20-17(19-10)23-18-22-14(9-27-18)16(24)21-13-8-12(25-3)5-6-15(13)26-4/h5-9H,1-4H3,(H,21,24)(H,19,20,22,23)
InChIKeyQPGQFFRPLYHKMD-UHFFFAOYSA-N
XLogP3.56
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025
N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110860509
N-(2,3-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506209
2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90506242
N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110409324
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337046
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide (CID 90506217) is N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2csc(Nc3nc(C)cc(C)n3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is QPGQFFRPLYHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-10-7-11(2)20-17(19-10)23-18-22-14(9-27-18)16(24)21-13-8-12(25-3)5-6-15(13)26-4/h5-9H,1-4H3,(H,21,24)(H,19,20,22,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90506217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).