[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C16H15N3O2S2 — CID 30864171

IUPAC[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C16H15N3O2S2/c20-16(13-4-2-10-22-13)19-7-5-11(6-8-19)14-17-18-15(23-14)12-3-1-9-21-12/h1-4,9-11H,5-8H2
InChIKeyDMDKMNYGZCWSDV-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.88
Rot. Bonds3

About [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 30864171) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID30864171
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C16H15N3O2S2/c20-16(13-4-2-10-22-13)19-7-5-11(6-8-19)14-17-18-15(23-14)12-3-1-9-21-12/h1-4,9-11H,5-8H2
InChIKeyDMDKMNYGZCWSDV-UHFFFAOYSA-N
XLogP3.88
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 30864171) is [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is DMDKMNYGZCWSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-16(13-4-2-10-22-13)19-7-5-11(6-8-19)14-17-18-15(23-14)12-3-1-9-21-12/h1-4,9-11H,5-8H2.
What are the key properties of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 345.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 30864171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).