N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C17H18FN3O3S — CID 166192355

IUPACN-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC(CO)Cc1ccc(F)cc1)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C17H18FN3O3S/c18-13-3-1-11(2-4-13)7-14(10-22)20-16(24)12-8-15(23)21(9-12)17-19-5-6-25-17/h1-6,12,14,22H,7-10H2,(H,20,24)
InChIKeyQKAQMKCSJINRKM-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.35
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 166192355) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID166192355
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC(CO)Cc1ccc(F)cc1)C1CC(=O)N(c2nccs2)C1
InChIInChI=1S/C17H18FN3O3S/c18-13-3-1-11(2-4-13)7-14(10-22)20-16(24)12-8-15(23)21(9-12)17-19-5-6-25-17/h1-6,12,14,22H,7-10H2,(H,20,24)
InChIKeyQKAQMKCSJINRKM-UHFFFAOYSA-N
XLogP1.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155510039
1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 42655612
5-oxo-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 155939438
5-oxo-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155505771
[(1R)-1-(3-fluorophenyl)ethyl] (3S)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
CID 96824663
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 154564256
2-[[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 4911015
5-oxo-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 162631015
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 55389602
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 42569786
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 166192355) is N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(NC(CO)Cc1ccc(F)cc1)C1CC(=O)N(c2nccs2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is QKAQMKCSJINRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-13-3-1-11(2-4-13)7-14(10-22)20-16(24)12-8-15(23)21(9-12)17-19-5-6-25-17/h1-6,12,14,22H,7-10H2,(H,20,24).
What are the key properties of N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166192355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).