(5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C15H16N2O3S3 — CID 1371448

IUPAC(5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCOCC1
InChIInChI=1S/C15H16N2O3S3/c18-13(16-5-7-20-8-6-16)3-4-17-14(19)12(23-15(17)21)10-11-2-1-9-22-11/h1-2,9-10H,3-8H2/b12-10-
InChIKeyVOCBVXQCVSRCKZ-BENRWUELSA-N
MW368.51 g/mol
LogP2.20
Rot. Bonds4

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

(5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 1371448) has the molecular formula C15H16N2O3S3 and a molecular weight of 368.51 g/mol. Its IUPAC name is (5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID1371448
Molecular FormulaC15H16N2O3S3
Molecular Weight368.51 g/mol
Exact Mass368.03
IUPAC Name(5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCOCC1
InChIInChI=1S/C15H16N2O3S3/c18-13(16-5-7-20-8-6-16)3-4-17-14(19)12(23-15(17)21)10-11-2-1-9-22-11/h1-2,9-10H,3-8H2/b12-10-
InChIKeyVOCBVXQCVSRCKZ-BENRWUELSA-N
XLogP2.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 1371448) is (5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCOCC1.
What is the InChIKey of (5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is VOCBVXQCVSRCKZ-BENRWUELSA-N. The full InChI is InChI=1S/C15H16N2O3S3/c18-13(16-5-7-20-8-6-16)3-4-17-14(19)12(23-15(17)21)10-11-2-1-9-22-11/h1-2,9-10H,3-8H2/b12-10-.
What are the key properties of (5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 368.51 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1371448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).