4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide

C6H6ClFN2OS — CID 127012027

IUPAC4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCCF)c1nc(Cl)cs1
InChIInChI=1S/C6H6ClFN2OS/c7-4-3-12-6(10-4)5(11)9-2-1-8/h3H,1-2H2,(H,9,11)
InChIKeyGGDNNMLBJSJMMZ-UHFFFAOYSA-N
MW208.64 g/mol
LogP1.50
Rot. Bonds3

About 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide

4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide (PubChem CID 127012027) has the molecular formula C6H6ClFN2OS and a molecular weight of 208.64 g/mol. Its IUPAC name is 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide
PubChem CID127012027
Molecular FormulaC6H6ClFN2OS
Molecular Weight208.64 g/mol
Exact Mass207.99
IUPAC Name4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCCF)c1nc(Cl)cs1
InChIInChI=1S/C6H6ClFN2OS/c7-4-3-12-6(10-4)5(11)9-2-1-8/h3H,1-2H2,(H,9,11)
InChIKeyGGDNNMLBJSJMMZ-UHFFFAOYSA-N
XLogP1.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide (CID 127012027) is 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide is O=C(NCCF)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is GGDNNMLBJSJMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2OS/c7-4-3-12-6(10-4)5(11)9-2-1-8/h3H,1-2H2,(H,9,11).
What are the key properties of 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide?
4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 208.64 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 127012027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).