N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide

C18H13BrClN3O2S — CID 16915145

IUPACN-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)ccc1Br
InChIInChI=1S/C18H13BrClN3O2S/c1-10-8-13(6-7-14(10)19)21-17(25)15-9-26-18(22-15)23-16(24)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,21,25)(H,22,23,24)
InChIKeySHWUOVDKDTURBT-UHFFFAOYSA-N
MW450.75 g/mol
LogP5.37
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 16915145) has the molecular formula C18H13BrClN3O2S and a molecular weight of 450.75 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID16915145
Molecular FormulaC18H13BrClN3O2S
Molecular Weight450.75 g/mol
Exact Mass448.96
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)ccc1Br
InChIInChI=1S/C18H13BrClN3O2S/c1-10-8-13(6-7-14(10)19)21-17(25)15-9-26-18(22-15)23-16(24)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,21,25)(H,22,23,24)
InChIKeySHWUOVDKDTURBT-UHFFFAOYSA-N
XLogP5.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954943
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 84550584
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 16915145) is N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(NC(=O)c3ccc(Cl)cc3)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is SHWUOVDKDTURBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O2S/c1-10-8-13(6-7-14(10)19)21-17(25)15-9-26-18(22-15)23-16(24)11-2-4-12(20)5-3-11/h2-9H,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 450.75 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).