(5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H10N4OS2 — CID 58642480

IUPAC(5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cccc(-c2cnc3cnccc3c2)n1
InChIInChI=1S/C17H10N4OS2/c22-16-15(24-17(23)21-16)7-12-2-1-3-13(20-12)11-6-10-4-5-18-9-14(10)19-8-11/h1-9H,(H,21,22,23)/b15-7-
InChIKeyKDQSBVNIGZFQSF-CHHVJCJISA-N
MW350.43 g/mol
LogP3.18
Rot. Bonds2

About (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 58642480) has the molecular formula C17H10N4OS2 and a molecular weight of 350.43 g/mol. Its IUPAC name is (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID58642480
Molecular FormulaC17H10N4OS2
Molecular Weight350.43 g/mol
Exact Mass350.03
IUPAC Name(5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cccc(-c2cnc3cnccc3c2)n1
InChIInChI=1S/C17H10N4OS2/c22-16-15(24-17(23)21-16)7-12-2-1-3-13(20-12)11-6-10-4-5-18-9-14(10)19-8-11/h1-9H,(H,21,22,23)/b15-7-
InChIKeyKDQSBVNIGZFQSF-CHHVJCJISA-N
XLogP3.18
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
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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Related Compounds

(5E)-5-[[6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54603528
(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58642543
5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 91313295
(5Z)-5-[[6-[3-(cyclopropylmethylamino)quinoxalin-2-yl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643518
(5Z)-5-[[3-(3-hydroxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122579989
5-[(4-phenylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 47298359
(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142717669
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
5-[(2,6-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4131394
5-[(2,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3096036
(5E)-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377507
(5E)-5-[(3-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19201203

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 58642480) is (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cccc(-c2cnc3cnccc3c2)n1.
What is the InChIKey of (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KDQSBVNIGZFQSF-CHHVJCJISA-N. The full InChI is InChI=1S/C17H10N4OS2/c22-16-15(24-17(23)21-16)7-12-2-1-3-13(20-12)11-6-10-4-5-18-9-14(10)19-8-11/h1-9H,(H,21,22,23)/b15-7-.
What are the key properties of (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 350.43 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 58642480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).