(5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C18H12N2OS2 — CID 126332786

IUPAC(5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1cccc2ccccc12
InChIInChI=1S/C18H12N2OS2/c21-17-16(11-13-7-4-10-19-13)23-18(22)20(17)15-9-3-6-12-5-1-2-8-14(12)15/h1-11,19H/b16-11-
InChIKeyCUYSAMCVDXJQBN-WJDWOHSUSA-N
MW336.44 g/mol
LogP4.57
Rot. Bonds2

About (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126332786) has the molecular formula C18H12N2OS2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID126332786
Molecular FormulaC18H12N2OS2
Molecular Weight336.44 g/mol
Exact Mass336.04
IUPAC Name(5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1cccc2ccccc12
InChIInChI=1S/C18H12N2OS2/c21-17-16(11-13-7-4-10-19-13)23-18(22)20(17)15-9-3-6-12-5-1-2-8-14(12)15/h1-11,19H/b16-11-
InChIKeyCUYSAMCVDXJQBN-WJDWOHSUSA-N
XLogP4.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(5Z)-5-benzylidene-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122714055
2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 18841116
(5Z)-5-[(6-methyl-2-pyridinyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126334905
(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126336393
5-[(5-bromo-2-fluorophenyl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2914464
[4-[(Z)-(3-naphthalen-1-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 126356123
3-(2,3-dimethylphenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2866312
(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126344377
2-[4-[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetic acid
CID 27408511
2-[4-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetic acid
CID 18839166
(5E)-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2288120
(5E)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126351048

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126332786) is (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1cccc2ccccc12.
What is the InChIKey of (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CUYSAMCVDXJQBN-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H12N2OS2/c21-17-16(11-13-7-4-10-19-13)23-18(22)20(17)15-9-3-6-12-5-1-2-8-14(12)15/h1-11,19H/b16-11-.
What are the key properties of (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 336.44 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-naphthalen-1-yl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126332786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).