(2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole

C24H28N2S — CID 66685201

IUPAC(2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole
SMILESC1=C(c2ccccc2)N(C(CN2CCCC2)c2ccccc2)[C@H](C2CC2)S1
InChIInChI=1S/C24H28N2S/c1-3-9-19(10-4-1)22(17-25-15-7-8-16-25)26-23(20-11-5-2-6-12-20)18-27-24(26)21-13-14-21/h1-6,9-12,18,21-22,24H,7-8,13-17H2/t22?,24-/m0/s1
InChIKeyVCIAJQIPJWHVCT-GITCGBDTSA-N
MW376.57 g/mol
LogP5.61
Rot. Bonds6

About (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole

(2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole (PubChem CID 66685201) has the molecular formula C24H28N2S and a molecular weight of 376.57 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole
PubChem CID66685201
Molecular FormulaC24H28N2S
Molecular Weight376.57 g/mol
Exact Mass376.20
IUPAC Name(2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole
SMILESC1=C(c2ccccc2)N(C(CN2CCCC2)c2ccccc2)[C@H](C2CC2)S1
InChIInChI=1S/C24H28N2S/c1-3-9-19(10-4-1)22(17-25-15-7-8-16-25)26-23(20-11-5-2-6-12-20)18-27-24(26)21-13-14-21/h1-6,9-12,18,21-22,24H,7-8,13-17H2/t22?,24-/m0/s1
InChIKeyVCIAJQIPJWHVCT-GITCGBDTSA-N
XLogP5.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole with MolForge

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Related Compounds

5-cyclopropyl-1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-2H-pyridine
CID 66684948
1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 54473974
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione
CID 19421899
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
1-[(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110021873
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
CID 177487208
(2R,3R)-3-hydroxy-3-phenyl-2-(pyrrolidin-1-ylmethyl)propanenitrile
CID 94173528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole?
The IUPAC name of (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole (CID 66685201) is (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole.
What is the SMILES notation for (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole?
The canonical SMILES for (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole is C1=C(c2ccccc2)N(C(CN2CCCC2)c2ccccc2)[C@H](C2CC2)S1.
What is the InChIKey of (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole?
The InChIKey is VCIAJQIPJWHVCT-GITCGBDTSA-N. The full InChI is InChI=1S/C24H28N2S/c1-3-9-19(10-4-1)22(17-25-15-7-8-16-25)26-23(20-11-5-2-6-12-20)18-27-24(26)21-13-14-21/h1-6,9-12,18,21-22,24H,7-8,13-17H2/t22?,24-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole?
(2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole has a molecular weight of 376.57 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-4-phenyl-3-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-1,3-thiazole is sourced from PubChem (CID 66685201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).