3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide

C14H13BrN2OS — CID 104852540

IUPAC3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2nc(C3CC3)cs2)c1
InChIInChI=1S/C14H13BrN2OS/c1-8-4-10(6-11(15)5-8)13(18)17-14-16-12(7-19-14)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17,18)
InChIKeyXEOFHVPPFVCMQZ-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.34
Rot. Bonds3

About 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide

3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide (PubChem CID 104852540) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
PubChem CID104852540
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2nc(C3CC3)cs2)c1
InChIInChI=1S/C14H13BrN2OS/c1-8-4-10(6-11(15)5-8)13(18)17-14-16-12(7-19-14)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,16,17,18)
InChIKeyXEOFHVPPFVCMQZ-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

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Related Compounds

3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
5-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 32865110
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
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
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186693
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 113237268
4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 32863519
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-diethylquinoxaline-6-carboxamide
CID 30858486

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide (CID 104852540) is 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2nc(C3CC3)cs2)c1.
What is the InChIKey of 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide?
The InChIKey is XEOFHVPPFVCMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-8-4-10(6-11(15)5-8)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 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide?
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-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 3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide is sourced from PubChem (CID 104852540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).