N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide

C18H15BrN4O2S — CID 16948232

IUPACN-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H15BrN4O2S/c1-11-9-12(19)7-8-14(11)21-16(24)15-10-26-18(22-15)23-17(25)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,21,24)(H2,20,22,23,25)
InChIKeyHMFNEBMXNBXLRC-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.11
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide

N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 16948232) has the molecular formula C18H15BrN4O2S and a molecular weight of 431.32 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
PubChem CID16948232
Molecular FormulaC18H15BrN4O2S
Molecular Weight431.32 g/mol
Exact Mass430.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H15BrN4O2S/c1-11-9-12(19)7-8-14(11)21-16(24)15-10-26-18(22-15)23-17(25)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,21,24)(H2,20,22,23,25)
InChIKeyHMFNEBMXNBXLRC-UHFFFAOYSA-N
XLogP5.11
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
N-(4-bromo-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955294
N-(4-bromo-2-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211289
N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550687
N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948581
2-[(4-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948367
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide (CID 16948232) is N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide is Cc1cc(Br)ccc1NC(=O)c1csc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is HMFNEBMXNBXLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2S/c1-11-9-12(19)7-8-14(11)21-16(24)15-10-26-18(22-15)23-17(25)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,21,24)(H2,20,22,23,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide?
N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).