2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide

C13H12BrClN2OS — CID 62856308

IUPAC2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(Br)C(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C13H12BrClN2OS/c1-2-9(14)12(18)17-13-16-11(7-19-13)8-5-3-4-6-10(8)15/h3-7,9H,2H2,1H3,(H,16,17,18)
InChIKeySNURUCIBNNQSTL-UHFFFAOYSA-N
MW359.68 g/mol
LogP4.58
Rot. Bonds4

About 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide

2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 62856308) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID62856308
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC Name2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCC(Br)C(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C13H12BrClN2OS/c1-2-9(14)12(18)17-13-16-11(7-19-13)8-5-3-4-6-10(8)15/h3-7,9H,2H2,1H3,(H,16,17,18)
InChIKeySNURUCIBNNQSTL-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119264489
2-bromo-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748311
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
4-chloro-N-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 112760826
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
2-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]butanamide
CID 108745941
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 23743440
4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-[(2-methoxyphenyl)methyl]-4-oxobutanoic acid
CID 75180787
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide (CID 62856308) is 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide is CCC(Br)C(=O)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is SNURUCIBNNQSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c1-2-9(14)12(18)17-13-16-11(7-19-13)8-5-3-4-6-10(8)15/h3-7,9H,2H2,1H3,(H,16,17,18).
What are the key properties of 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide?
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 359.68 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 62856308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).