N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide

C18H18N4O2S — CID 53200115

IUPACN-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(Nc3ncccc3C)nc2C)cc1
InChIInChI=1S/C18H18N4O2S/c1-11-5-4-10-19-16(11)22-18-20-12(2)15(25-18)17(23)21-13-6-8-14(24-3)9-7-13/h4-10H,1-3H3,(H,21,23)(H,19,20,22)
InChIKeySFYJJJHSHZWGFF-UHFFFAOYSA-N
MW354.44 g/mol
LogP4.16
Rot. Bonds5

About N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide

N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 53200115) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID53200115
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(Nc3ncccc3C)nc2C)cc1
InChIInChI=1S/C18H18N4O2S/c1-11-5-4-10-19-16(11)22-18-20-12(2)15(25-18)17(23)21-13-6-8-14(24-3)9-7-13/h4-10H,1-3H3,(H,21,23)(H,19,20,22)
InChIKeySFYJJJHSHZWGFF-UHFFFAOYSA-N
XLogP4.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 46512544
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
N-(4-methoxyphenyl)-4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 53172996
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152980
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8878410
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 50845464
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
N-(4-methoxyphenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935560
4-methyl-2-pyrimidin-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55810916
N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845444

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (CID 53200115) is N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(Nc3ncccc3C)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is SFYJJJHSHZWGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-5-4-10-19-16(11)22-18-20-12(2)15(25-18)17(23)21-13-6-8-14(24-3)9-7-13/h4-10H,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).