2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone

C19H24N4OS — CID 172902407

IUPAC2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
SMILESCC(C)c1nnc(N2CCC(C(=O)N3CCc4ccccc43)CC2)s1
InChIInChI=1S/C19H24N4OS/c1-13(2)17-20-21-19(25-17)22-10-7-15(8-11-22)18(24)23-12-9-14-5-3-4-6-16(14)23/h3-6,13,15H,7-12H2,1-2H3
InChIKeyWULAUADWCANJTP-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.47
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 172902407) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
PubChem CID172902407
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
SMILESCC(C)c1nnc(N2CCC(C(=O)N3CCc4ccccc43)CC2)s1
InChIInChI=1S/C19H24N4OS/c1-13(2)17-20-21-19(25-17)22-10-7-15(8-11-22)18(24)23-12-9-14-5-3-4-6-16(14)23/h3-6,13,15H,7-12H2,1-2H3
InChIKeyWULAUADWCANJTP-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 172891774
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30363670
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90609321
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 172901325
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381
[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 86847153

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone (CID 172902407) is 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone is CC(C)c1nnc(N2CCC(C(=O)N3CCc4ccccc43)CC2)s1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is WULAUADWCANJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-13(2)17-20-21-19(25-17)22-10-7-15(8-11-22)18(24)23-12-9-14-5-3-4-6-16(14)23/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 356.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 172902407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).