(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide

C20H22N4OS — CID 128859243

IUPAC(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3C[C@@H](C#N)[C@H](c4ccccc4)C3)nc21
InChIInChI=1S/C20H22N4OS/c1-20(2)9-8-16-17(20)22-18(26-16)23-19(25)24-11-14(10-21)15(12-24)13-6-4-3-5-7-13/h3-7,14-15H,8-9,11-12H2,1-2H3,(H,22,23,25)/t14-,15+/m1/s1
InChIKeyFNKJNPDVCNNRAH-CABCVRRESA-N
MW366.49 g/mol
LogP4.14
Rot. Bonds2

About (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide

(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide (PubChem CID 128859243) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide
PubChem CID128859243
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide
SMILESCC1(C)CCc2sc(NC(=O)N3C[C@@H](C#N)[C@H](c4ccccc4)C3)nc21
InChIInChI=1S/C20H22N4OS/c1-20(2)9-8-16-17(20)22-18(26-16)23-19(25)24-11-14(10-21)15(12-24)13-6-4-3-5-7-13/h3-7,14-15H,8-9,11-12H2,1-2H3,(H,22,23,25)/t14-,15+/m1/s1
InChIKeyFNKJNPDVCNNRAH-CABCVRRESA-N
XLogP4.14
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide
CID 146147751
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxamide
CID 128859088
1-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093933
(3S,4R)-3-cyano-N-[(2,2-dimethyloxan-4-yl)methyl]-4-phenylpyrrolidine-1-carboxamide
CID 128634186
(3S,4R)-3-cyano-N-[(2,2-difluorocyclopentyl)methyl]-4-phenylpyrrolidine-1-carboxamide
CID 128626279
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)prop-2-enamide
CID 166406954
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 128858849
benzyl (3S,4R)-3-cyano-4-phenylpyrrolidine-1-carboxylate
CID 66510827
(3R,4S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 146143497
1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)urea
CID 128859210
(3R)-1-[(8S,10aR)-2-acetyl-6-oxo-1,3,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,4]diazocine-8-carbonyl]-4-phenylpyrrolidine-3-carbonitrile
CID 170222843
(3S,4R)-1-[(3S)-oxane-3-carbonyl]-4-phenylpyrrolidine-3-carbonitrile
CID 125144231

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide (CID 128859243) is (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide is CC1(C)CCc2sc(NC(=O)N3C[C@@H](C#N)[C@H](c4ccccc4)C3)nc21.
What is the InChIKey of (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide?
The InChIKey is FNKJNPDVCNNRAH-CABCVRRESA-N. The full InChI is InChI=1S/C20H22N4OS/c1-20(2)9-8-16-17(20)22-18(26-16)23-19(25)24-11-14(10-21)15(12-24)13-6-4-3-5-7-13/h3-7,14-15H,8-9,11-12H2,1-2H3,(H,22,23,25)/t14-,15+/m1/s1.
What are the key properties of (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide?
(3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-cyano-N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-4-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 128859243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).