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

C16H15N5O3S — CID 84550600

IUPAC2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3cc(C)[nH]n3)cs2)cc1
InChIInChI=1S/C16H15N5O3S/c1-9-7-13(21-20-9)18-15(23)12-8-25-16(17-12)19-14(22)10-3-5-11(24-2)6-4-10/h3-8H,1-2H3,(H,17,19,22)(H2,18,20,21,23)
InChIKeyPZLHPGNVWDWBHL-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.69
Rot. Bonds5

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

2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 84550600) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID84550600
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3cc(C)[nH]n3)cs2)cc1
InChIInChI=1S/C16H15N5O3S/c1-9-7-13(21-20-9)18-15(23)12-8-25-16(17-12)19-14(22)10-3-5-11(24-2)6-4-10/h3-8H,1-2H3,(H,17,19,22)(H2,18,20,21,23)
InChIKeyPZLHPGNVWDWBHL-UHFFFAOYSA-N
XLogP2.69
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 47289778
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84550493
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethoxy)benzamide
CID 47148594
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
2-amino-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 63823171
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
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 84550584
2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid
CID 84555720

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 84550600) is 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc(C(=O)Nc3cc(C)[nH]n3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PZLHPGNVWDWBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-9-7-13(21-20-9)18-15(23)12-8-25-16(17-12)19-14(22)10-3-5-11(24-2)6-4-10/h3-8H,1-2H3,(H,17,19,22)(H2,18,20,21,23).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).