N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide

C13H13BrN2OS — CID 17399690

IUPACN-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1cncs1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2OS/c1-2-11(9-3-5-10(14)6-4-9)16-13(17)12-7-15-8-18-12/h3-8,11H,2H2,1H3,(H,16,17)
InChIKeyAIUJLFQQABDLIC-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide

N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 17399690) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID17399690
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC NameN-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1cncs1)c1ccc(Br)cc1
InChIInChI=1S/C13H13BrN2OS/c1-2-11(9-3-5-10(14)6-4-9)16-13(17)12-7-15-8-18-12/h3-8,11H,2H2,1H3,(H,16,17)
InChIKeyAIUJLFQQABDLIC-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 62787341
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
CID 106550859
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299263
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 103850626

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide (CID 17399690) is N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1cncs1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AIUJLFQQABDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-2-11(9-3-5-10(14)6-4-9)16-13(17)12-7-15-8-18-12/h3-8,11H,2H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide?
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 325.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17399690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).