2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole

C10H17N3S2 — CID 130433945

IUPAC2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
SMILESCC(C)Sc1nnc(N2CCCCC2)s1
InChIInChI=1S/C10H17N3S2/c1-8(2)14-10-12-11-9(15-10)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3
InChIKeyKASFQDWKCJXGKB-UHFFFAOYSA-N
MW243.40 g/mol
LogP3.03
Rot. Bonds3

About 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole

2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole (PubChem CID 130433945) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
PubChem CID130433945
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
SMILESCC(C)Sc1nnc(N2CCCCC2)s1
InChIInChI=1S/C10H17N3S2/c1-8(2)14-10-12-11-9(15-10)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3
InChIKeyKASFQDWKCJXGKB-UHFFFAOYSA-N
XLogP3.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole (CID 130433945) is 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole is CC(C)Sc1nnc(N2CCCCC2)s1.
What is the InChIKey of 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole?
The InChIKey is KASFQDWKCJXGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-8(2)14-10-12-11-9(15-10)13-6-4-3-5-7-13/h8H,3-7H2,1-2H3.
What are the key properties of 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole?
2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole has a molecular weight of 243.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 130433945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).