N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide

C7H9ClN2OS — CID 14931758

IUPACN-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCCl)cs1
InChIInChI=1S/C7H9ClN2OS/c1-5(11)9-7-10-6(2-3-8)4-12-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyXGJMHOIOVBOVLW-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.88
Rot. Bonds3

About N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide

N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 14931758) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID14931758
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC NameN-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCCl)cs1
InChIInChI=1S/C7H9ClN2OS/c1-5(11)9-7-10-6(2-3-8)4-12-7/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyXGJMHOIOVBOVLW-UHFFFAOYSA-N
XLogP1.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
2-Acetamido-4-chloromethylthiazole
CID 81963
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
N-[4-(2,2-dichloroethenyl)-1,3-thiazol-2-yl]acetamide
CID 540331
N-(4-tert-Butyl-1,3-thiazol-2-yl)acetamide
CID 588190
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 57792389
methyl N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]carbamate
CID 14962250
4-(2-Chloroethyl)-1,3-thiazol-2-amine hydrochloride
CID 165441078
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1133016
2-Acetamido-4-methylthiomethylthiazole
CID 47263059
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide
CID 28803730
2-Thiazolamine, 4-(2-chloroethyl)-
CID 20482452

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide (CID 14931758) is N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CCCl)cs1.
What is the InChIKey of N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XGJMHOIOVBOVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-5(11)9-7-10-6(2-3-8)4-12-7/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 204.68 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 14931758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).