(2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide

C17H15N3O2S — CID 46507592

IUPAC(2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide
SMILESCOc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12
InChIInChI=1S/C17H15N3O2S/c1-21-14-9-5-6-11-10-13(16(18)23)17(22-15(11)14)20-19-12-7-3-2-4-8-12/h2-10,19H,1H3,(H2,18,23)/b20-17-
InChIKeyMFMUXFPKQDBGJB-JZJYNLBNSA-N
MW325.39 g/mol
LogP3.00
Rot. Bonds4

About (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide

(2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide (PubChem CID 46507592) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide.

Molecular Properties

Compound Name(2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide
PubChem CID46507592
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide
SMILESCOc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12
InChIInChI=1S/C17H15N3O2S/c1-21-14-9-5-6-11-10-13(16(18)23)17(22-15(11)14)20-19-12-7-3-2-4-8-12/h2-10,19H,1H3,(H2,18,23)/b20-17-
InChIKeyMFMUXFPKQDBGJB-JZJYNLBNSA-N
XLogP3.00
TPSA72.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide
CID 39844710
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
8-methoxy-2-oxochromene-3-carboxamide;methylthiourea
CID 21235892
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
CID 51366960
8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
CID 51370461
(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 41493067
2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366994
2-(4-chloro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366983
(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
CID 46257266
(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
CID 5403929

Frequently Asked Questions

What is the IUPAC name of (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide?
The IUPAC name of (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide (CID 46507592) is (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide.
What is the SMILES notation for (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide?
The canonical SMILES for (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide is COc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12.
What is the InChIKey of (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide?
The InChIKey is MFMUXFPKQDBGJB-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-21-14-9-5-6-11-10-13(16(18)23)17(22-15(11)14)20-19-12-7-3-2-4-8-12/h2-10,19H,1H3,(H2,18,23)/b20-17-.
What are the key properties of (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide?
(2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide has a molecular weight of 325.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-8-methoxy-2-(phenylhydrazinylidene)chromene-3-carbothioamide is sourced from PubChem (CID 46507592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).