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

C18H16N4O3S — CID 84550493

IUPAC2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(C)cn3)cs2)cc1
InChIInChI=1S/C18H16N4O3S/c1-11-3-8-15(19-9-11)21-17(24)14-10-26-18(20-14)22-16(23)12-4-6-13(25-2)7-5-12/h3-10H,1-2H3,(H,19,21,24)(H,20,22,23)
InChIKeyQODGIJADXYVQCR-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.36
Rot. Bonds5

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

2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 84550493) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID84550493
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(C)cn3)cs2)cc1
InChIInChI=1S/C18H16N4O3S/c1-11-3-8-15(19-9-11)21-17(24)14-10-26-18(20-14)22-16(23)12-4-6-13(25-2)7-5-12/h3-10H,1-2H3,(H,19,21,24)(H,20,22,23)
InChIKeyQODGIJADXYVQCR-UHFFFAOYSA-N
XLogP3.36
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 84550600
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550351
2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 84550439
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 84550584
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555627

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 84550493) is 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(C)cn3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QODGIJADXYVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-11-3-8-15(19-9-11)21-17(24)14-10-26-18(20-14)22-16(23)12-4-6-13(25-2)7-5-12/h3-10H,1-2H3,(H,19,21,24)(H,20,22,23).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).