2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C18H31N5S — CID 91156466

IUPAC2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCN1CCCC(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1
InChIInChI=1S/C18H31N5S/c1-21-9-5-6-15(14-21)17-19-20-18(24-17)23-12-7-16(8-13-23)22-10-3-2-4-11-22/h15-16H,2-14H2,1H3
InChIKeyYQGOPCGICVLSKE-UHFFFAOYSA-N
MW349.55 g/mol
LogP2.80
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 91156466) has the molecular formula C18H31N5S and a molecular weight of 349.55 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID91156466
Molecular FormulaC18H31N5S
Molecular Weight349.55 g/mol
Exact Mass349.23
IUPAC Name2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCN1CCCC(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1
InChIInChI=1S/C18H31N5S/c1-21-9-5-6-15(14-21)17-19-20-18(24-17)23-12-7-16(8-13-23)22-10-3-2-4-11-22/h15-16H,2-14H2,1H3
InChIKeyYQGOPCGICVLSKE-UHFFFAOYSA-N
XLogP2.80
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.55
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 91156466) is 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is CN1CCCC(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is YQGOPCGICVLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5S/c1-21-9-5-6-15(14-21)17-19-20-18(24-17)23-12-7-16(8-13-23)22-10-3-2-4-11-22/h15-16H,2-14H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 349.55 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 91156466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).