2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide

C15H14BrN3O2S — CID 58786259

IUPAC2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(Br)s1
InChIInChI=1S/C15H14BrN3O2S/c1-8-2-3-9(13(20)18-10-4-5-10)6-11(8)19-14(21)12-7-17-15(16)22-12/h2-3,6-7,10H,4-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyIWRUNTSOVIVMMY-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.36
Rot. Bonds4

About 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide

2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide (PubChem CID 58786259) has the molecular formula C15H14BrN3O2S and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
PubChem CID58786259
Molecular FormulaC15H14BrN3O2S
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC Name2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(Br)s1
InChIInChI=1S/C15H14BrN3O2S/c1-8-2-3-9(13(20)18-10-4-5-10)6-11(8)19-14(21)12-7-17-15(16)22-12/h2-3,6-7,10H,4-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyIWRUNTSOVIVMMY-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-5-carboxamide
CID 11750521
2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 67019715
2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 11417033
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 59761393
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59761459
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
4-methyl-3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 120522326
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-(4-isocyanophenyl)thiophene-2-carboxamide
CID 59761442
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(propylamino)pyridine-4-carboxamide
CID 59761490

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide (CID 58786259) is 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IWRUNTSOVIVMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S/c1-8-2-3-9(13(20)18-10-4-5-10)6-11(8)19-14(21)12-7-17-15(16)22-12/h2-3,6-7,10H,4-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide?
2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 380.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58786259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).