(5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C16H17ClN2OS2 — CID 6038254

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCCCC1
InChIInChI=1S/C16H17ClN2OS2/c17-13-6-4-12(5-7-13)10-14-15(20)19(16(21)22-14)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2/b14-10-
InChIKeyBZSQDYGXJOOSHL-UVTDQMKNSA-N
MW352.91 g/mol
LogP3.98
Rot. Bonds3

About (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6038254) has the molecular formula C16H17ClN2OS2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6038254
Molecular FormulaC16H17ClN2OS2
Molecular Weight352.91 g/mol
Exact Mass352.05
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCCCC1
InChIInChI=1S/C16H17ClN2OS2/c17-13-6-4-12(5-7-13)10-14-15(20)19(16(21)22-14)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2/b14-10-
InChIKeyBZSQDYGXJOOSHL-UVTDQMKNSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6038254) is (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CN1CCCCC1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is BZSQDYGXJOOSHL-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H17ClN2OS2/c17-13-6-4-12(5-7-13)10-14-15(20)19(16(21)22-14)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2/b14-10-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 352.91 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6038254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).