N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C9H11BrN2OS — CID 115594716

IUPACN-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESC=C(Br)CNC(=O)Cc1csc(C)n1
InChIInChI=1S/C9H11BrN2OS/c1-6(10)4-11-9(13)3-8-5-14-7(2)12-8/h5H,1,3-4H2,2H3,(H,11,13)
InChIKeyFMSPEGXARKTJNH-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.02
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 115594716) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID115594716
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC NameN-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESC=C(Br)CNC(=O)Cc1csc(C)n1
InChIInChI=1S/C9H11BrN2OS/c1-6(10)4-11-9(13)3-8-5-14-7(2)12-8/h5H,1,3-4H2,2H3,(H,11,13)
InChIKeyFMSPEGXARKTJNH-UHFFFAOYSA-N
XLogP2.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305423
N-(2,2-dimethoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463239
N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115620137
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N,N-dimethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 55752087
4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 66044328
3-methyl-2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]butanoic acid
CID 65220312
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 115594716) is N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is C=C(Br)CNC(=O)Cc1csc(C)n1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FMSPEGXARKTJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c1-6(10)4-11-9(13)3-8-5-14-7(2)12-8/h5H,1,3-4H2,2H3,(H,11,13).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 275.17 g/mol, XLogP of 2.02, 4 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-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 115594716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).