N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide

C8H11ClN2OS — CID 2081014

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CCl)cs1
InChIInChI=1S/C8H11ClN2OS/c1-3-11(6(2)12)8-10-7(4-9)5-13-8/h5H,3-4H2,1-2H3
InChIKeyQAHGTFJTWCLCBX-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.25
Rot. Bonds3

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 2081014) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID2081014
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CCl)cs1
InChIInChI=1S/C8H11ClN2OS/c1-3-11(6(2)12)8-10-7(4-9)5-13-8/h5H,3-4H2,1-2H3
InChIKeyQAHGTFJTWCLCBX-UHFFFAOYSA-N
XLogP2.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.25
H-Bond Donors ≤ 50
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-chloromethylthiazole
CID 81963
1-(4-Methylthiazol-2-yl)pyrrolidin-2-one
CID 3015940
4-(chloromethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 61607770
4-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 61607771
4-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 61608280
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-1,3-thiazol-2-amine
CID 107489976
N-(2-chloroethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 107490609
[2-(N-ethylacetamido)-1,3-thiazol-4-yl]methanesulfonyl fluoride
CID 165869309
2-chloro-2-fluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 166427927
2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 167868473
4-Chloro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168689929
N-ethyl-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 2081015

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide (CID 2081014) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CCl)cs1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is QAHGTFJTWCLCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-3-11(6(2)12)8-10-7(4-9)5-13-8/h5H,3-4H2,1-2H3.
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 218.71 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 2081014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).