5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine

C21H22N6S — CID 77467358

IUPAC5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCCCN1c1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1
InChIInChI=1S/C21H22N6S/c1-13-5-2-3-10-27(13)19-7-4-6-18(24-19)16-12-23-17-9-8-14(11-15(16)17)20-25-26-21(22)28-20/h4,6-9,11-13,23H,2-3,5,10H2,1H3,(H2,22,26)
InChIKeyWNIIXCCZBNUGMW-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.71
Rot. Bonds3

About 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine

5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 77467358) has the molecular formula C21H22N6S and a molecular weight of 390.52 g/mol. Its IUPAC name is 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID77467358
Molecular FormulaC21H22N6S
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC Name5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCCCN1c1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1
InChIInChI=1S/C21H22N6S/c1-13-5-2-3-10-27(13)19-7-4-6-18(24-19)16-12-23-17-9-8-14(11-15(16)17)20-25-26-21(22)28-20/h4,6-9,11-13,23H,2-3,5,10H2,1H3,(H2,22,26)
InChIKeyWNIIXCCZBNUGMW-UHFFFAOYSA-N
XLogP4.71
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine
CID 148874730
(3R)-1-[5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 90256727
N-methyl-5-[3-[2-(2-methyl-2H-pyran-4-yl)-1,3-thiazol-4-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 123875441
6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64589835
1-[4-[6-(5-methyl-1H-indol-3-yl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 90145373
N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine
CID 80835819
[6-(2-methylpiperidin-1-yl)-2-pyridinyl]methanol
CID 62253556
6-(2-methylpiperidin-1-yl)pyridine-3,4-diamine
CID 165447697
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176
4-(1-aminoethyl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 157026915
4-(1-aminopropyl)-2-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166500865
4-(2-aminopropan-2-yl)-2-[6-(4-ethyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrrolidin-1-yl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166824238

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine (CID 77467358) is 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine is CC1CCCCN1c1cccc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1.
What is the InChIKey of 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WNIIXCCZBNUGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S/c1-13-5-2-3-10-27(13)19-7-4-6-18(24-19)16-12-23-17-9-8-14(11-15(16)17)20-25-26-21(22)28-20/h4,6-9,11-13,23H,2-3,5,10H2,1H3,(H2,22,26).
What are the key properties of 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 390.52 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 77467358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).