N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C9H11BrN2OS — CID 115594438

IUPACN-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESC=C(Br)CNC(=O)c1sc(C)nc1C
InChIInChI=1S/C9H11BrN2OS/c1-5(10)4-11-9(13)8-6(2)12-7(3)14-8/h1,4H2,2-3H3,(H,11,13)
InChIKeyJKLQOHQOZFANSR-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.40
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 115594438) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID115594438
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC NameN-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESC=C(Br)CNC(=O)c1sc(C)nc1C
InChIInChI=1S/C9H11BrN2OS/c1-5(10)4-11-9(13)8-6(2)12-7(3)14-8/h1,4H2,2-3H3,(H,11,13)
InChIKeyJKLQOHQOZFANSR-UHFFFAOYSA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47257222
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265867
N-(2-bromo-3-ethylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114168808
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
(2S)-2-[[2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695115
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
N-[2-(cyclopropylamino)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103806373
N-(2-bromoprop-2-enyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 131207229
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
N-[(3-chlorocyclopentyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 106127337
N-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]formamide
CID 130610590

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 115594438) is N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is C=C(Br)CNC(=O)c1sc(C)nc1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is JKLQOHQOZFANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c1-5(10)4-11-9(13)8-6(2)12-7(3)14-8/h1,4H2,2-3H3,(H,11,13).
What are the key properties of N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-bromoprop-2-enyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 275.17 g/mol, XLogP of 2.40, 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)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 115594438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).