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

C6H7FN2OS — CID 67765171

IUPACN-ethyl-2-fluoro-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)C1=CSC(=N1)F
InChIInChI=1S/C6H7FN2OS/c1-2-8-5(10)4-3-11-6(7)9-4/h3H,2H2,1H3,(H,8,10)
InChIKeyJKKSVCMMKFOQGR-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.40
Rot. Bonds2

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

N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide (PubChem CID 67765171) has the molecular formula C6H7FN2OS and a molecular weight of 174.20 g/mol. Its IUPAC name is N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-1,3-thiazole-4-carboxamide
PubChem CID67765171
Molecular FormulaC6H7FN2OS
Molecular Weight174.20 g/mol
Exact Mass174.03
IUPAC NameN-ethyl-2-fluoro-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)C1=CSC(=N1)F
InChIInChI=1S/C6H7FN2OS/c1-2-8-5(10)4-3-11-6(7)9-4/h3H,2H2,1H3,(H,8,10)
InChIKeyJKKSVCMMKFOQGR-UHFFFAOYSA-N
XLogP1.40
TPSA70.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-N-methyl-1,3-thiazole-4-carboxamide
CID 42281846
2-ethynyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168295957
2-bromo-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168278291
2-Methyl-1,3-thiazole-4-carboxylic acid amide
CID 7019409
2-(Aminomethyl)-1,3-thiazole-4-carboxamide
CID 18003418
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 63024101
FK 336
CID 129402
2-(1-Aminoethyl)-1,3-thiazole-4-carboxamide
CID 485048
2-amino-N-ethyl-1,3-thiazole-4-carboxamide
CID 42281847
N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802
(s)-(N-(3-trifluoroacetyl))-2-(1-acetamidoethyl) thiazole-4-carboxamide
CID 168059171

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide (CID 67765171) is N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide is CCNC(=O)C1=CSC(=N1)F.
What is the InChIKey of N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide?
The InChIKey is JKKSVCMMKFOQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2OS/c1-2-8-5(10)4-3-11-6(7)9-4/h3H,2H2,1H3,(H,8,10).
What are the key properties of N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide?
N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide has a molecular weight of 174.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67765171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).