5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile

C19H22N4S — CID 22038219

IUPAC5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile
SMILESCC(c1cnc(C#N)s1)N1CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C19H22N4S/c1-14(18-13-21-19(12-20)24-18)22-9-7-16(8-10-22)23-11-6-15-4-2-3-5-17(15)23/h2-5,13-14,16H,6-11H2,1H3
InChIKeyFXRDWTVRTWGERG-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.60
Rot. Bonds3

About 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile

5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile (PubChem CID 22038219) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile
PubChem CID22038219
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile
SMILESCC(c1cnc(C#N)s1)N1CCC(N2CCc3ccccc32)CC1
InChIInChI=1S/C19H22N4S/c1-14(18-13-21-19(12-20)24-18)22-9-7-16(8-10-22)23-11-6-15-4-2-3-5-17(15)23/h2-5,13-14,16H,6-11H2,1H3
InChIKeyFXRDWTVRTWGERG-UHFFFAOYSA-N
XLogP3.60
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydro-2H-quinoline
CID 23570249
5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
CID 22037916
4-(2,3-dihydroindol-1-yl)-1-(dimethylamino)cyclohexane-1-carbonitrile
CID 117038204
1-amino-4-(2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
CID 117038171
1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 99787697
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol
CID 62752443
(3R)-3-(2,3-dihydroindol-1-yl)cyclopentan-1-one
CID 102451637
2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 43291692
[1-[1-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]methanamine;trihydrochloride
CID 66990824
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
3-(2,3-dihydroindol-1-yl)cyclobutan-1-amine
CID 80561205

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile?
The IUPAC name of 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile (CID 22038219) is 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile?
The canonical SMILES for 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile is CC(c1cnc(C#N)s1)N1CCC(N2CCc3ccccc32)CC1.
What is the InChIKey of 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile?
The InChIKey is FXRDWTVRTWGERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-14(18-13-21-19(12-20)24-18)22-9-7-16(8-10-22)23-11-6-15-4-2-3-5-17(15)23/h2-5,13-14,16H,6-11H2,1H3.
What are the key properties of 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile?
5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile has a molecular weight of 338.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]-1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 22038219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).