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

C18H14BrN3O3S — CID 84550351

IUPACN-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccccc3Br)cs2)cc1
InChIInChI=1S/C18H14BrN3O3S/c1-25-12-8-6-11(7-9-12)16(23)22-18-21-15(10-26-18)17(24)20-14-5-3-2-4-13(14)19/h2-10H,1H3,(H,20,24)(H,21,22,23)
InChIKeyHQFHDMHRBZPKDN-UHFFFAOYSA-N
MW432.30 g/mol
LogP4.42
Rot. Bonds5

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

N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84550351) has the molecular formula C18H14BrN3O3S and a molecular weight of 432.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84550351
Molecular FormulaC18H14BrN3O3S
Molecular Weight432.30 g/mol
Exact Mass430.99
IUPAC NameN-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccccc3Br)cs2)cc1
InChIInChI=1S/C18H14BrN3O3S/c1-25-12-8-6-11(7-9-12)16(23)22-18-21-15(10-26-18)17(24)20-14-5-3-2-4-13(14)19/h2-10H,1H3,(H,20,24)(H,21,22,23)
InChIKeyHQFHDMHRBZPKDN-UHFFFAOYSA-N
XLogP4.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
2-[(3,5-dimethoxybenzoyl)amino]-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915265
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84550493
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
N-(2-chloro-4-nitrophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550434
N-(4-chloro-2-nitrophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550498
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 N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 84550351) is N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc(C(=O)Nc3ccccc3Br)cs2)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is HQFHDMHRBZPKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3S/c1-25-12-8-6-11(7-9-12)16(23)22-18-21-15(10-26-18)17(24)20-14-5-3-2-4-13(14)19/h2-10H,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 432.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).