2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide

C10H15ClN2OS — CID 43138061

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-7(2)13(3)10(14)4-9-12-8(5-11)6-15-9/h6-7H,4-5H2,1-3H3
InChIKeyJJCXEMLNDWVQEZ-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.29
Rot. Bonds4

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 43138061) 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-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID43138061
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-7(2)13(3)10(14)4-9-12-8(5-11)6-15-9/h6-7H,4-5H2,1-3H3
InChIKeyJJCXEMLNDWVQEZ-UHFFFAOYSA-N
XLogP2.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide (CID 43138061) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cc1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is JJCXEMLNDWVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-7(2)13(3)10(14)4-9-12-8(5-11)6-15-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 246.76 g/mol, XLogP of 2.29, 4 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 43138061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).