(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide

C15H16FN3O2S — CID 94802137

IUPAC(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
SMILESC[C@H](CC(=O)NCC(=O)Nc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2S/c1-10(11-2-4-12(16)5-3-11)8-13(20)18-9-14(21)19-15-17-6-7-22-15/h2-7,10H,8-9H2,1H3,(H,18,20)(H,17,19,21)/t10-/m1/s1
InChIKeyXVYDMVPBNULMII-SNVBAGLBSA-N
MW321.38 g/mol
LogP2.53
Rot. Bonds6

About (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide

(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide (PubChem CID 94802137) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
PubChem CID94802137
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
SMILESC[C@H](CC(=O)NCC(=O)Nc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2S/c1-10(11-2-4-12(16)5-3-11)8-13(20)18-9-14(21)19-15-17-6-7-22-15/h2-7,10H,8-9H2,1H3,(H,18,20)(H,17,19,21)/t10-/m1/s1
InChIKeyXVYDMVPBNULMII-SNVBAGLBSA-N
XLogP2.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide
CID 110313528
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47334895
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619466
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 54774828
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 42655612
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226
3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide?
The IUPAC name of (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide (CID 94802137) is (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide is C[C@H](CC(=O)NCC(=O)Nc1nccs1)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide?
The InChIKey is XVYDMVPBNULMII-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-10(11-2-4-12(16)5-3-11)8-13(20)18-9-14(21)19-15-17-6-7-22-15/h2-7,10H,8-9H2,1H3,(H,18,20)(H,17,19,21)/t10-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide?
(3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide has a molecular weight of 321.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide is sourced from PubChem (CID 94802137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).