4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide

C14H13BrN2OS — CID 112705830

IUPAC4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1Br
InChIInChI=1S/C14H13BrN2OS/c1-8-6-10(4-5-11(8)15)13(18)17-14-16-12(7-19-14)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17,18)
InChIKeyARZKWPHGSNMRME-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.34
Rot. Bonds3

About 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide

4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide (PubChem CID 112705830) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
PubChem CID112705830
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1Br
InChIInChI=1S/C14H13BrN2OS/c1-8-6-10(4-5-11(8)15)13(18)17-14-16-12(7-19-14)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17,18)
InChIKeyARZKWPHGSNMRME-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 63718087
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61479305
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-diethylquinoxaline-6-carboxamide
CID 30858486
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94198052
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 32863513

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide (CID 112705830) is 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide is Cc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1Br.
What is the InChIKey of 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide?
The InChIKey is ARZKWPHGSNMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-8-6-10(4-5-11(8)15)13(18)17-14-16-12(7-19-14)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide?
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide has a molecular weight of 337.24 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide is sourced from PubChem (CID 112705830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).