2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C9H10ClFN2OS — CID 167868473

IUPAC2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C(=O)C(F)Cl)C2CC2)n1
InChIInChI=1S/C9H10ClFN2OS/c1-5-4-15-9(12-5)13(6-2-3-6)8(14)7(10)11/h4,6-7H,2-3H2,1H3
InChIKeyIOMWSIGZYJYUHC-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 167868473) has the molecular formula C9H10ClFN2OS and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID167868473
Molecular FormulaC9H10ClFN2OS
Molecular Weight248.71 g/mol
Exact Mass248.02
IUPAC Name2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C(=O)C(F)Cl)C2CC2)n1
InChIInChI=1S/C9H10ClFN2OS/c1-5-4-15-9(12-5)13(6-2-3-6)8(14)7(10)11/h4,6-7H,2-3H2,1H3
InChIKeyIOMWSIGZYJYUHC-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.48
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-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 167868473) is 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(N(C(=O)C(F)Cl)C2CC2)n1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IOMWSIGZYJYUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2OS/c1-5-4-15-9(12-5)13(6-2-3-6)8(14)7(10)11/h4,6-7H,2-3H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 248.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 167868473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).