N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide

C7H9FN2OS — CID 130637820

IUPACN-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCCF)ns1
InChIInChI=1S/C7H9FN2OS/c1-5-4-6(10-12-5)7(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyRKNALZMATNOMOT-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.15
Rot. Bonds3

About N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide

N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 130637820) has the molecular formula C7H9FN2OS and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID130637820
Molecular FormulaC7H9FN2OS
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC NameN-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCCF)ns1
InChIInChI=1S/C7H9FN2OS/c1-5-4-6(10-12-5)7(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyRKNALZMATNOMOT-UHFFFAOYSA-N
XLogP1.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
CID 97645999
N-(3-hydroxycyclobutyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 126815697
rel-N-((1s,3s)-3-Hydroxy-3-methylcyclobutyl)-5-methylisothiazole-3-carboxamide
CID 126819050
N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126819064
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126820300
2-[2,6-Dimethyl-4-(5-methyl-1,2-thiazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 126829407
5-methyl-N-(3-pyrrolidin-1-ylcyclobutyl)-1,2-thiazole-3-carboxamide
CID 132319301
N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 164639872
N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide
CID 166845261
N-((1r,4r)-4-aminocyclohexyl)-5-ethylisothiazole-3-carboxamide
CID 132227965
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
CID 124292216
[3-(2,2-Difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 126819354

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide (CID 130637820) is N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NCCF)ns1.
What is the InChIKey of N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is RKNALZMATNOMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2OS/c1-5-4-6(10-12-5)7(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11).
What are the key properties of N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide?
N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 130637820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).