(4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone

C13H15N3OS2 — CID 71786845

IUPAC(4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C13H15N3OS2/c1-9-12(19-15-14-9)13(17)16-6-4-10(5-7-16)11-3-2-8-18-11/h2-3,8,10H,4-7H2,1H3
InChIKeyPVKFAFYBSGWMMJ-UHFFFAOYSA-N
MW293.42 g/mol
LogP2.93
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone

(4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone (PubChem CID 71786845) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
PubChem CID71786845
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name(4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C13H15N3OS2/c1-9-12(19-15-14-9)13(17)16-6-4-10(5-7-16)11-3-2-8-18-11/h2-3,8,10H,4-7H2,1H3
InChIKeyPVKFAFYBSGWMMJ-UHFFFAOYSA-N
XLogP2.93
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone (CID 71786845) is (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone is Cc1nnsc1C(=O)N1CCC(c2cccs2)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The InChIKey is PVKFAFYBSGWMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-9-12(19-15-14-9)13(17)16-6-4-10(5-7-16)11-3-2-8-18-11/h2-3,8,10H,4-7H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone?
(4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone has a molecular weight of 293.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(4-thiophen-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71786845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).