(2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide

C19H23N3OS — CID 155508548

IUPAC(2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide
SMILESO=C(NCCc1nc2c(s1)CCC2)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C19H23N3OS/c23-19(16-10-9-14(21-16)13-5-2-1-3-6-13)20-12-11-18-22-15-7-4-8-17(15)24-18/h1-3,5-6,14,16,21H,4,7-12H2,(H,20,23)/t14-,16-/m1/s1
InChIKeyFQZACIZXCZKEIT-GDBMZVCRSA-N
MW341.48 g/mol
LogP2.78
Rot. Bonds5

About (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide

(2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide (PubChem CID 155508548) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide
PubChem CID155508548
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide
SMILESO=C(NCCc1nc2c(s1)CCC2)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C19H23N3OS/c23-19(16-10-9-14(21-16)13-5-2-1-3-6-13)20-12-11-18-22-15-7-4-8-17(15)24-18/h1-3,5-6,14,16,21H,4,7-12H2,(H,20,23)/t14-,16-/m1/s1
InChIKeyFQZACIZXCZKEIT-GDBMZVCRSA-N
XLogP2.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910811
3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide
CID 166623393
(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 155493540
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158
(2R,5R)-5-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 154569424
2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 51132681
cis-(1R,3S)-3-amino-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 133118561
N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316773
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 155497132

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide (CID 155508548) is (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide is O=C(NCCc1nc2c(s1)CCC2)[C@H]1CC[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide?
The InChIKey is FQZACIZXCZKEIT-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-19(16-10-9-14(21-16)13-5-2-1-3-6-13)20-12-11-18-22-15-7-4-8-17(15)24-18/h1-3,5-6,14,16,21H,4,7-12H2,(H,20,23)/t14-,16-/m1/s1.
What are the key properties of (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide?
(2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155508548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).