1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C14H17N3OS2 — CID 71780414

IUPAC1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1nnc(C2CCN(C(=O)Cc3cccs3)CC2)s1
InChIInChI=1S/C14H17N3OS2/c1-10-15-16-14(20-10)11-4-6-17(7-5-11)13(18)9-12-3-2-8-19-12/h2-3,8,11H,4-7,9H2,1H3
InChIKeyDCIHUPKMMJTDNG-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.86
Rot. Bonds3

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

1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 71780414) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID71780414
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1nnc(C2CCN(C(=O)Cc3cccs3)CC2)s1
InChIInChI=1S/C14H17N3OS2/c1-10-15-16-14(20-10)11-4-6-17(7-5-11)13(18)9-12-3-2-8-19-12/h2-3,8,11H,4-7,9H2,1H3
InChIKeyDCIHUPKMMJTDNG-UHFFFAOYSA-N
XLogP2.86
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 71780414) is 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is Cc1nnc(C2CCN(C(=O)Cc3cccs3)CC2)s1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is DCIHUPKMMJTDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-10-15-16-14(20-10)11-4-6-17(7-5-11)13(18)9-12-3-2-8-19-12/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 307.44 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71780414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).