[2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone

C25H32N4OS — CID 167765834

IUPAC[2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1csc(N2CCC(C3CCCCC3)C2)n1)N1CC(N2CCc3ccccc32)C1
InChIInChI=1S/C25H32N4OS/c30-24(28-15-21(16-28)29-13-11-19-8-4-5-9-23(19)29)22-17-31-25(26-22)27-12-10-20(14-27)18-6-2-1-3-7-18/h4-5,8-9,17-18,20-21H,1-3,6-7,10-16H2
InChIKeyGFHQGMIGEZOYDG-UHFFFAOYSA-N
MW436.63 g/mol
LogP4.44
Rot. Bonds4

About [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone

[2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone (PubChem CID 167765834) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone
PubChem CID167765834
Molecular FormulaC25H32N4OS
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC Name[2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1csc(N2CCC(C3CCCCC3)C2)n1)N1CC(N2CCc3ccccc32)C1
InChIInChI=1S/C25H32N4OS/c30-24(28-15-21(16-28)29-13-11-19-8-4-5-9-23(19)29)22-17-31-25(26-22)27-12-10-20(14-27)18-6-2-1-3-7-18/h4-5,8-9,17-18,20-21H,1-3,6-7,10-16H2
InChIKeyGFHQGMIGEZOYDG-UHFFFAOYSA-N
XLogP4.44
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.63
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 80569253
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazole-4-carboxylate
CID 80569291
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
1-[2-[4-(3-cyclohexylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 58924830
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 172891774
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 66390979
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 100722964
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 22243029
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 70718281
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-4-yl]ethanone
CID 82751506

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone (CID 167765834) is [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone is O=C(c1csc(N2CCC(C3CCCCC3)C2)n1)N1CC(N2CCc3ccccc32)C1.
What is the InChIKey of [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone?
The InChIKey is GFHQGMIGEZOYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4OS/c30-24(28-15-21(16-28)29-13-11-19-8-4-5-9-23(19)29)22-17-31-25(26-22)27-12-10-20(14-27)18-6-2-1-3-7-18/h4-5,8-9,17-18,20-21H,1-3,6-7,10-16H2.
What are the key properties of [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone?
[2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone has a molecular weight of 436.63 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclohexylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-[3-(2,3-dihydroindol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 167765834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).