N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide

C20H13N3O2S2 — CID 19176739

IUPACN-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1cccnc1
InChIInChI=1S/C20H13N3O2S2/c24-18(15-8-4-10-21-12-15)22-23-19(25)17(27-20(23)26)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,22,24)/b17-11-
InChIKeyQKBAOTPZQMIRCT-BOPFTXTBSA-N
MW391.48 g/mol
LogP3.78
Rot. Bonds3

About N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide

N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide (PubChem CID 19176739) has the molecular formula C20H13N3O2S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
PubChem CID19176739
Molecular FormulaC20H13N3O2S2
Molecular Weight391.48 g/mol
Exact Mass391.04
IUPAC NameN-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1cccnc1
InChIInChI=1S/C20H13N3O2S2/c24-18(15-8-4-10-21-12-15)22-23-19(25)17(27-20(23)26)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,22,24)/b17-11-
InChIKeyQKBAOTPZQMIRCT-BOPFTXTBSA-N
XLogP3.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pyridine-3-carboxamide
CID 2788639
3-methoxy-N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 2132870
N-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
CID 1397785
N-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
CID 2788640
N-[(5E)-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
CID 18880339
N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,2-diphenylacetamide
CID 2132675
5-(naphthalen-1-ylmethylidene)-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3328581
3-chloro-N-[4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 3799466
N-[(5Z)-5-(anthracen-9-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 6162129
N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
CID 1397774
4-hydroxy-N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1403920
4-tert-butyl-N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 2132918

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide (CID 19176739) is N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide is O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1cccnc1.
What is the InChIKey of N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is QKBAOTPZQMIRCT-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H13N3O2S2/c24-18(15-8-4-10-21-12-15)22-23-19(25)17(27-20(23)26)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,22,24)/b17-11-.
What are the key properties of N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide?
N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 19176739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).