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

C9H11ClN2OS — CID 115636734

IUPACN-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESC=C(Cl)CNC(=O)Cc1csc(C)n1
InChIInChI=1S/C9H11ClN2OS/c1-6(10)4-11-9(13)3-8-5-14-7(2)12-8/h5H,1,3-4H2,2H3,(H,11,13)
InChIKeyBHCBNMDNPDRLTF-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.86
Rot. Bonds4

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

N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 115636734) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID115636734
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC NameN-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESC=C(Cl)CNC(=O)Cc1csc(C)n1
InChIInChI=1S/C9H11ClN2OS/c1-6(10)4-11-9(13)3-8-5-14-7(2)12-8/h5H,1,3-4H2,2H3,(H,11,13)
InChIKeyBHCBNMDNPDRLTF-UHFFFAOYSA-N
XLogP1.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115594716
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940637
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
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-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110885409
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
2-(2-methyl-1,3-thiazol-4-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 134026067
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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 115636734) is N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is C=C(Cl)CNC(=O)Cc1csc(C)n1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BHCBNMDNPDRLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/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-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 230.72 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 115636734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).