(5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C14H15NOS3 — CID 2029819

IUPAC(5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)SC(=S)N1C1CCCCC1
InChIInChI=1S/C14H15NOS3/c16-13-12(9-11-7-4-8-18-11)19-14(17)15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2/b12-9-
InChIKeyKKWYUQVJAZDZDH-XFXZXTDPSA-N
MW309.48 g/mol
LogP4.28
Rot. Bonds2

About (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 2029819) has the molecular formula C14H15NOS3 and a molecular weight of 309.48 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID2029819
Molecular FormulaC14H15NOS3
Molecular Weight309.48 g/mol
Exact Mass309.03
IUPAC Name(5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)SC(=S)N1C1CCCCC1
InChIInChI=1S/C14H15NOS3/c16-13-12(9-11-7-4-8-18-11)19-14(17)15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2/b12-9-
InChIKeyKKWYUQVJAZDZDH-XFXZXTDPSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.28
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)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 2029819) is (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccs2)SC(=S)N1C1CCCCC1.
What is the InChIKey of (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is KKWYUQVJAZDZDH-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H15NOS3/c16-13-12(9-11-7-4-8-18-11)19-14(17)15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2/b12-9-.
What are the key properties of (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 309.48 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-cyclohexyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2029819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).