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

C10H15ClN2OS — CID 16767824

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-3-13(4-2)10(14)5-9-12-8(6-11)7-15-9/h7H,3-6H2,1-2H3
InChIKeyVVNAZPHKFAZWNW-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.29
Rot. Bonds5

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide (PubChem CID 16767824) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide
PubChem CID16767824
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-3-13(4-2)10(14)5-9-12-8(6-11)7-15-9/h7H,3-6H2,1-2H3
InChIKeyVVNAZPHKFAZWNW-UHFFFAOYSA-N
XLogP2.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide (CID 16767824) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide?
The InChIKey is VVNAZPHKFAZWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-3-13(4-2)10(14)5-9-12-8(6-11)7-15-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide has a molecular weight of 246.76 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N,N-diethylacetamide is sourced from PubChem (CID 16767824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).