N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide

C13H13BrN2OS — CID 60654890

IUPACN-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ncc(Br)s2)cc1
InChIInChI=1S/C13H13BrN2OS/c1-8(2)9-3-5-10(6-4-9)12(17)16-13-15-7-11(14)18-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQLRFELIBYMHGHT-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.28
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide

N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide (PubChem CID 60654890) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
PubChem CID60654890
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ncc(Br)s2)cc1
InChIInChI=1S/C13H13BrN2OS/c1-8(2)9-3-5-10(6-4-9)12(17)16-13-15-7-11(14)18-13/h3-8H,1-2H3,(H,15,16,17)
InChIKeyQLRFELIBYMHGHT-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66462491
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
N-(5-bromo-1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 60784493
N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62181432
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
N-(5-bromo-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
CID 1235992
(2S)-N-(5-bromo-1,3-thiazol-2-yl)-2-(methylamino)propanamide
CID 130563823
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide (CID 60654890) is N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ncc(Br)s2)cc1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The InChIKey is QLRFELIBYMHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-8(2)9-3-5-10(6-4-9)12(17)16-13-15-7-11(14)18-13/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide has a molecular weight of 325.23 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 60654890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).