N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide

C16H17FN2O2S — CID 51937676

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C16H17FN2O2S/c17-12-4-1-3-11(9-12)14-10-22-16(18-14)19-15(20)7-6-13-5-2-8-21-13/h1,3-4,9-10,13H,2,5-8H2,(H,18,19,20)/t13-/m0/s1
InChIKeyXAOUCXIFVSGSGV-ZDUSSCGKSA-N
MW320.39 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 51937676) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID51937676
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C16H17FN2O2S/c17-12-4-1-3-11(9-12)14-10-22-16(18-14)19-15(20)7-6-13-5-2-8-21-13/h1,3-4,9-10,13H,2,5-8H2,(H,18,19,20)/t13-/m0/s1
InChIKeyXAOUCXIFVSGSGV-ZDUSSCGKSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxan-2-yl]propanamide
CID 97077643
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 75402955
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
CID 80655149
N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)acetamide
CID 154755202
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 153338918
3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32622827
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
CID 77046849

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide (CID 51937676) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide is O=C(CC[C@@H]1CCCO1)Nc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is XAOUCXIFVSGSGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-12-4-1-3-11(9-12)14-10-22-16(18-14)19-15(20)7-6-13-5-2-8-21-13/h1,3-4,9-10,13H,2,5-8H2,(H,18,19,20)/t13-/m0/s1.
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 320.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 51937676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).