5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C20H24N4S — CID 45489033

IUPAC5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESc1cc2cc(CN3CCc4nc(N5CCCCC5)sc4C3)ccc2[nH]1
InChIInChI=1S/C20H24N4S/c1-2-9-24(10-3-1)20-22-18-7-11-23(14-19(18)25-20)13-15-4-5-17-16(12-15)6-8-21-17/h4-6,8,12,21H,1-3,7,9-11,13-14H2
InChIKeyJXINXMCJDIBMHE-UHFFFAOYSA-N
MW352.51 g/mol
LogP4.17
Rot. Bonds3

About 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 45489033) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID45489033
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC Name5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESc1cc2cc(CN3CCc4nc(N5CCCCC5)sc4C3)ccc2[nH]1
InChIInChI=1S/C20H24N4S/c1-2-9-24(10-3-1)20-22-18-7-11-23(14-19(18)25-20)13-15-4-5-17-16(12-15)6-8-21-17/h4-6,8,12,21H,1-3,7,9-11,13-14H2
InChIKeyJXINXMCJDIBMHE-UHFFFAOYSA-N
XLogP4.17
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 45489033) is 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is c1cc2cc(CN3CCc4nc(N5CCCCC5)sc4C3)ccc2[nH]1.
What is the InChIKey of 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is JXINXMCJDIBMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-2-9-24(10-3-1)20-22-18-7-11-23(14-19(18)25-20)13-15-4-5-17-16(12-15)6-8-21-17/h4-6,8,12,21H,1-3,7,9-11,13-14H2.
What are the key properties of 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 352.51 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 45489033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).