(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide

C16H16FN3O2S — CID 95298412

IUPAC(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2scnc2-c2ccc(F)cc2)CC1=O
InChIInChI=1S/C16H16FN3O2S/c1-2-20-8-11(7-13(20)21)15(22)19-16-14(18-9-23-16)10-3-5-12(17)6-4-10/h3-6,9,11H,2,7-8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyAMKHMXIVQAHWIP-NSHDSACASA-N
MW333.39 g/mol
LogP2.76
Rot. Bonds4

About (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95298412) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95298412
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2scnc2-c2ccc(F)cc2)CC1=O
InChIInChI=1S/C16H16FN3O2S/c1-2-20-8-11(7-13(20)21)15(22)19-16-14(18-9-23-16)10-3-5-12(17)6-4-10/h3-6,9,11H,2,7-8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyAMKHMXIVQAHWIP-NSHDSACASA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
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CID 94088856
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide
CID 56794468
N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 138058437
N-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 71685702
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
(3R)-1-ethyl-5-oxo-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrrolidine-3-carboxamide
CID 124515907
1-ethyl-5-oxo-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 60604654
(3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 124734784
1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 119043484

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide (CID 95298412) is (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)Nc2scnc2-c2ccc(F)cc2)CC1=O.
What is the InChIKey of (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AMKHMXIVQAHWIP-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-2-20-8-11(7-13(20)21)15(22)19-16-14(18-9-23-16)10-3-5-12(17)6-4-10/h3-6,9,11H,2,7-8H2,1H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95298412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).