6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile

C21H17N5O2S2 — CID 135992979

IUPAC6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile
SMILESCC(C)Oc1c(C#N)cnc2ccc(/C=C3\S/C(=N/Cc4cccs4)NC3=O)nc12
InChIInChI=1S/C21H17N5O2S2/c1-12(2)28-19-13(9-22)10-23-16-6-5-14(25-18(16)19)8-17-20(27)26-21(30-17)24-11-15-4-3-7-29-15/h3-8,10,12H,11H2,1-2H3,(H,24,26,27)/b17-8-
InChIKeyIVLGQUDJKMAJTC-IUXPMGMMSA-N
MW435.53 g/mol
LogP4.11
Rot. Bonds5

About 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile

6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile (PubChem CID 135992979) has the molecular formula C21H17N5O2S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile
PubChem CID135992979
Molecular FormulaC21H17N5O2S2
Molecular Weight435.53 g/mol
Exact Mass435.08
IUPAC Name6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile
SMILESCC(C)Oc1c(C#N)cnc2ccc(/C=C3\S/C(=N/Cc4cccs4)NC3=O)nc12
InChIInChI=1S/C21H17N5O2S2/c1-12(2)28-19-13(9-22)10-23-16-6-5-14(25-18(16)19)8-17-20(27)26-21(30-17)24-11-15-4-3-7-29-15/h3-8,10,12H,11H2,1-2H3,(H,24,26,27)/b17-8-
InChIKeyIVLGQUDJKMAJTC-IUXPMGMMSA-N
XLogP4.11
TPSA100.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135400873
4-ethoxy-6-[(Z)-[2-[(1R)-2-hydroxy-1-phenylethyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carbonitrile
CID 135461420
2-imino-5-[(8-propan-2-yloxy-1,5-naphthyridin-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 152756373
6-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-propan-2-yloxyquinoline-3-carbonitrile
CID 73009367
4-morpholin-4-ylquinoline-6-carbaldehyde;(5Z)-5-[(4-morpholin-4-ylquinolin-6-yl)methylidene]-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one;2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 162046265
(5Z)-2-[(3,5-dimethylphenyl)methylimino]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135592451
2-(2-hydroxypropylimino)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136510788
2-[(3-methylthiophen-2-yl)methylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136660236
5-[[2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 77144921
propan-2-yl 3-[[(5E)-5-[[2-[(2-cyanophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135642928
2-(2-hydroxy-1-thiophen-2-ylethyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 136648319
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one
CID 177376640

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile (CID 135992979) is 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile is CC(C)Oc1c(C#N)cnc2ccc(/C=C3\S/C(=N/Cc4cccs4)NC3=O)nc12.
What is the InChIKey of 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile?
The InChIKey is IVLGQUDJKMAJTC-IUXPMGMMSA-N. The full InChI is InChI=1S/C21H17N5O2S2/c1-12(2)28-19-13(9-22)10-23-16-6-5-14(25-18(16)19)8-17-20(27)26-21(30-17)24-11-15-4-3-7-29-15/h3-8,10,12H,11H2,1-2H3,(H,24,26,27)/b17-8-.
What are the key properties of 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile?
6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile has a molecular weight of 435.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-[4-oxo-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-5-ylidene]methyl]-4-propan-2-yloxy-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 135992979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).