(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone

C15H17N3OS2 — CID 866378

IUPAC(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc(=S)n1-c1ccccc1
InChIInChI=1S/C15H17N3OS2/c16-13-12(14(19)17-9-5-2-6-10-17)21-15(20)18(13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,16H2
InChIKeyFFZVWPDQPLTXDJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.48
Rot. Bonds2

About (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone

(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 866378) has the molecular formula C15H17N3OS2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
PubChem CID866378
Molecular FormulaC15H17N3OS2
Molecular Weight319.45 g/mol
Exact Mass319.08
IUPAC Name(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
SMILESNc1c(C(=O)N2CCCCC2)sc(=S)n1-c1ccccc1
InChIInChI=1S/C15H17N3OS2/c16-13-12(14(19)17-9-5-2-6-10-17)21-15(20)18(13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,16H2
InChIKeyFFZVWPDQPLTXDJ-UHFFFAOYSA-N
XLogP3.48
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_B(17)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone (CID 866378) is (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone is Nc1c(C(=O)N2CCCCC2)sc(=S)n1-c1ccccc1.
What is the InChIKey of (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is FFZVWPDQPLTXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c16-13-12(14(19)17-9-5-2-6-10-17)21-15(20)18(13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,16H2.
What are the key properties of (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone?
(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 319.45 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 866378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).