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

C19H16N4O5S — CID 84550584

IUPAC2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cs2)cc1
InChIInChI=1S/C19H16N4O5S/c1-11-9-13(5-8-16(11)23(26)27)20-18(25)15-10-29-19(21-15)22-17(24)12-3-6-14(28-2)7-4-12/h3-10H,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyRYNNQVOZFCNNTO-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.87
Rot. Bonds6

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

2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 84550584) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
PubChem CID84550584
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cs2)cc1
InChIInChI=1S/C19H16N4O5S/c1-11-9-13(5-8-16(11)23(26)27)20-18(25)15-10-29-19(21-15)22-17(24)12-3-6-14(28-2)7-4-12/h3-10H,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyRYNNQVOZFCNNTO-UHFFFAOYSA-N
XLogP3.87
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-nitrophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550498
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 84550439
N-(2-chloro-4-nitrophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550434
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550488
N-(4-methoxyphenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948355
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84550493
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915145
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915276
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 84550600

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide (CID 84550584) is 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RYNNQVOZFCNNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-11-9-13(5-8-16(11)23(26)27)20-18(25)15-10-29-19(21-15)22-17(24)12-3-6-14(28-2)7-4-12/h3-10H,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide?
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).