N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide

C8H9BrN2OS — CID 131207229

IUPACN-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESC=C(Br)CNC(=O)c1csnc1C
InChIInChI=1S/C8H9BrN2OS/c1-5(9)3-10-8(12)7-4-13-11-6(7)2/h4H,1,3H2,2H3,(H,10,12)
InChIKeySNHLGCYXGZAYPY-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.09
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide

N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 131207229) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID131207229
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC NameN-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESC=C(Br)CNC(=O)c1csnc1C
InChIInChI=1S/C8H9BrN2OS/c1-5(9)3-10-8(12)7-4-13-11-6(7)2/h4H,1,3H2,2H3,(H,10,12)
InChIKeySNHLGCYXGZAYPY-UHFFFAOYSA-N
XLogP2.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-2,5-dimethylthiophene-3-carboxamide
CID 47439097
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
CID 115659844
3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid
CID 120522717
8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
CID 120535597
N-(2-bromoprop-2-enyl)-2,6-dimethylbenzamide
CID 103769141
N-(2-bromoprop-2-enyl)-5-methylthiophene-3-carboxamide
CID 130610492
N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 115594438
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
N-[(4-chloro-2-pyridinyl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 75501226
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide (CID 131207229) is N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide is C=C(Br)CNC(=O)c1csnc1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is SNHLGCYXGZAYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2OS/c1-5(9)3-10-8(12)7-4-13-11-6(7)2/h4H,1,3H2,2H3,(H,10,12).
What are the key properties of N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide?
N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 261.14 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 131207229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).