3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide

C13H12BrClN2OS — CID 104578827

IUPAC3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC(CNC(=O)c1cc(Cl)cc(Br)c1)c1nccs1
InChIInChI=1S/C13H12BrClN2OS/c1-8(13-16-2-3-19-13)7-17-12(18)9-4-10(14)6-11(15)5-9/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyHHQUOZUOJBNXNJ-UHFFFAOYSA-N
MW359.68 g/mol
LogP4.09
Rot. Bonds4

About 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide

3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 104578827) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID104578827
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC Name3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC(CNC(=O)c1cc(Cl)cc(Br)c1)c1nccs1
InChIInChI=1S/C13H12BrClN2OS/c1-8(13-16-2-3-19-13)7-17-12(18)9-4-10(14)6-11(15)5-9/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyHHQUOZUOJBNXNJ-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
CID 107952489
3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583150
3-bromo-5-chloro-N-[2-(diethylamino)propyl]benzamide
CID 110620419
3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 103826959
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 104578800
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide (CID 104578827) is 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide is CC(CNC(=O)c1cc(Cl)cc(Br)c1)c1nccs1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is HHQUOZUOJBNXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c1-8(13-16-2-3-19-13)7-17-12(18)9-4-10(14)6-11(15)5-9/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide?
3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 359.68 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 104578827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).