(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide

C17H19FN2O2S — CID 95769043

IUPAC(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C17H19FN2O2S/c1-10(19-16(21)14-8-5-9-22-14)15-11(2)20-17(23-15)12-6-3-4-7-13(12)18/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,19,21)/t10-,14+/m1/s1
InChIKeyZANGAYVAMJSNEA-YGRLFVJLSA-N
MW334.42 g/mol
LogP3.61
Rot. Bonds4

About (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide

(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide (PubChem CID 95769043) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
PubChem CID95769043
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
SMILESCc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C17H19FN2O2S/c1-10(19-16(21)14-8-5-9-22-14)15-11(2)20-17(23-15)12-6-3-4-7-13(12)18/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,19,21)/t10-,14+/m1/s1
InChIKeyZANGAYVAMJSNEA-YGRLFVJLSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769044
(2R)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769045
2-ethoxy-N-[(1S)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
CID 95769175
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119776825
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693
(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 97040610
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 71795593
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119319611
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 119319600
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide (CID 95769043) is (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide is Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is ZANGAYVAMJSNEA-YGRLFVJLSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-10(19-16(21)14-8-5-9-22-14)15-11(2)20-17(23-15)12-6-3-4-7-13(12)18/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,19,21)/t10-,14+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide?
(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 95769043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).