(5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C14H16N2O3S — CID 137249139

IUPAC(5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1\S/C(=N/CCCO)NC1=O
InChIInChI=1S/C14H16N2O3S/c1-19-11-6-3-2-5-10(11)9-12-13(18)16-14(20-12)15-7-4-8-17/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,15,16,18)/b12-9-
InChIKeyKHVIQPNLBRSGKC-XFXZXTDPSA-N
MW292.36 g/mol
LogP1.64
Rot. Bonds5

About (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137249139) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137249139
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1\S/C(=N/CCCO)NC1=O
InChIInChI=1S/C14H16N2O3S/c1-19-11-6-3-2-5-10(11)9-12-13(18)16-14(20-12)15-7-4-8-17/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,15,16,18)/b12-9-
InChIKeyKHVIQPNLBRSGKC-XFXZXTDPSA-N
XLogP1.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486739
(5Z)-2-(4-hydroxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135529565
2-(2-bromophenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135463935
(5Z)-2-(4-butylphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522734
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1206905
(5E)-5-[(2-methoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135736113
2-[2-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948194
3-[[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135522733
(5Z)-5-(furan-2-ylmethylidene)-2-(2-hydroxyethylimino)-1,3-thiazolidin-4-one
CID 137004547
2-(4-fluorophenyl)imino-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135474947
4-[[(5Z)-4-oxo-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-2-ylidene]amino]butanoic acid
CID 135498939
(5E)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135641348

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137249139) is (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccccc1/C=C1\S/C(=N/CCCO)NC1=O.
What is the InChIKey of (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is KHVIQPNLBRSGKC-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-11-6-3-2-5-10(11)9-12-13(18)16-14(20-12)15-7-4-8-17/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,15,16,18)/b12-9-.
What are the key properties of (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 292.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-hydroxypropylimino)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137249139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).