[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone

C14H17N3O2S — CID 30864081

IUPAC[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESCCc1nnc(C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C14H17N3O2S/c1-2-12-15-16-13(20-12)10-5-7-17(8-6-10)14(18)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyBQLHTMVWKZQQBG-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.71
Rot. Bonds3

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

[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 30864081) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID30864081
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESCCc1nnc(C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C14H17N3O2S/c1-2-12-15-16-13(20-12)10-5-7-17(8-6-10)14(18)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3
InChIKeyBQLHTMVWKZQQBG-UHFFFAOYSA-N
XLogP2.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 30864081) is [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone is CCc1nnc(C2CCN(C(=O)c3ccco3)CC2)s1.
What is the InChIKey of [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is BQLHTMVWKZQQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-12-15-16-13(20-12)10-5-7-17(8-6-10)14(18)11-4-3-9-19-11/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 291.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 30864081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).