N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide

C7H9FN2OS — CID 123730947

IUPACN-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(F)n1
InChIInChI=1S/C7H9FN2OS/c1-3-10(2)6(11)5-4-12-7(8)9-5/h4H,3H2,1-2H3
InChIKeyNZRRZWXQDWCOTJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.37
Rot. Bonds2

About N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide

N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 123730947) has the molecular formula C7H9FN2OS and a molecular weight of 188.23 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID123730947
Molecular FormulaC7H9FN2OS
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC NameN-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN(C)C(=O)c1csc(F)n1
InChIInChI=1S/C7H9FN2OS/c1-3-10(2)6(11)5-4-12-7(8)9-5/h4H,3H2,1-2H3
InChIKeyNZRRZWXQDWCOTJ-UHFFFAOYSA-N
XLogP1.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide (CID 123730947) is N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide is CCN(C)C(=O)c1csc(F)n1.
What is the InChIKey of N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NZRRZWXQDWCOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2OS/c1-3-10(2)6(11)5-4-12-7(8)9-5/h4H,3H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide?
N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123730947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).