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

C6H7FN2OS — CID 131129299

IUPACN-(2-fluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCCF)c1nccs1
InChIInChI=1S/C6H7FN2OS/c7-1-2-8-5(10)6-9-3-4-11-6/h3-4H,1-2H2,(H,8,10)
InChIKeyGRLWPVGGQHRTDW-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.84
Rot. Bonds3

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

N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide (PubChem CID 131129299) has the molecular formula C6H7FN2OS and a molecular weight of 174.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1,3-thiazole-2-carboxamide
PubChem CID131129299
Molecular FormulaC6H7FN2OS
Molecular Weight174.20 g/mol
Exact Mass174.03
IUPAC NameN-(2-fluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCCF)c1nccs1
InChIInChI=1S/C6H7FN2OS/c7-1-2-8-5(10)6-9-3-4-11-6/h3-4H,1-2H2,(H,8,10)
InChIKeyGRLWPVGGQHRTDW-UHFFFAOYSA-N
XLogP0.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide (CID 131129299) is N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide is O=C(NCCF)c1nccs1.
What is the InChIKey of N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is GRLWPVGGQHRTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2OS/c7-1-2-8-5(10)6-9-3-4-11-6/h3-4H,1-2H2,(H,8,10).
What are the key properties of N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide?
N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 174.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 131129299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).