(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

C21H26N4O2S — CID 7438452

IUPAC(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(CCCc2ccccc2)s1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H26N4O2S/c26-19-13-16(14-25(19)17-10-4-5-11-17)20(27)22-21-24-23-18(28-21)12-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H,22,24,27)/t16-/m0/s1
InChIKeyLHUVOARAIOYINB-INIZCTEOSA-N
MW398.53 g/mol
LogP3.44
Rot. Bonds7

About (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 7438452) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID7438452
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(CCCc2ccccc2)s1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C21H26N4O2S/c26-19-13-16(14-25(19)17-10-4-5-11-17)20(27)22-21-24-23-18(28-21)12-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H,22,24,27)/t16-/m0/s1
InChIKeyLHUVOARAIOYINB-INIZCTEOSA-N
XLogP3.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9364804
1-cyclohexyl-5-oxo-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17321668
1-(3-methylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17120756
1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17118838
1-cyclopentyl-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17081469
1-(2,4-dimethylphenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17152235
(3S)-1-cyclopentyl-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364740
1-(3-chloro-4-fluorophenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17225567
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2991661
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6497391
(3R)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7336940
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (CID 7438452) is (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is O=C(Nc1nnc(CCCc2ccccc2)s1)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is LHUVOARAIOYINB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O2S/c26-19-13-16(14-25(19)17-10-4-5-11-17)20(27)22-21-24-23-18(28-21)12-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H,22,24,27)/t16-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7438452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).