piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C13H14N2OS2 — CID 8868834

IUPACpiperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCCCC1
InChIInChI=1S/C13H14N2OS2/c16-13(15-5-2-1-3-6-15)11-9-18-12(14-11)10-4-7-17-8-10/h4,7-9H,1-3,5-6H2
InChIKeyJHHPPNQXBYEKBF-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.50
Rot. Bonds2

About piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 8868834) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID8868834
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Namepiperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCCCC1
InChIInChI=1S/C13H14N2OS2/c16-13(15-5-2-1-3-6-15)11-9-18-12(14-11)10-4-7-17-8-10/h4,7-9H,1-3,5-6H2
InChIKeyJHHPPNQXBYEKBF-UHFFFAOYSA-N
XLogP3.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 8868834) is piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccsc2)n1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is JHHPPNQXBYEKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c16-13(15-5-2-1-3-6-15)11-9-18-12(14-11)10-4-7-17-8-10/h4,7-9H,1-3,5-6H2.
What are the key properties of piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 8868834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).