3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one

C10H16ClNOS — CID 63312908

IUPAC3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCCCCCl)c1C
InChIInChI=1S/C10H16ClNOS/c1-8-9(2)14-10(13)12(8)7-5-3-4-6-11/h3-7H2,1-2H3
InChIKeyWCPQAASWETYDMN-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.94
Rot. Bonds5

About 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312908) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312908
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCCCCCl)c1C
InChIInChI=1S/C10H16ClNOS/c1-8-9(2)14-10(13)12(8)7-5-3-4-6-11/h3-7H2,1-2H3
InChIKeyWCPQAASWETYDMN-UHFFFAOYSA-N
XLogP2.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 63312908) is 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCCCCCl)c1C.
What is the InChIKey of 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is WCPQAASWETYDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-8-9(2)14-10(13)12(8)7-5-3-4-6-11/h3-7H2,1-2H3.
What are the key properties of 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 233.76 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropentyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).