(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide

C13H14N4O3S — CID 6279835

IUPAC(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide
SMILESCCOc1ccc2cc(C(N)=O)/c(=N\NC(N)=S)oc2c1
InChIInChI=1S/C13H14N4O3S/c1-2-19-8-4-3-7-5-9(11(14)18)12(16-17-13(15)21)20-10(7)6-8/h3-6H,2H2,1H3,(H2,14,18)(H3,15,17,21)/b16-12+
InChIKeyOIOHOERFFQMOAO-FOWTUZBSSA-N
MW306.35 g/mol
LogP0.58
Rot. Bonds4

About (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide

(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide (PubChem CID 6279835) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide
PubChem CID6279835
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide
SMILESCCOc1ccc2cc(C(N)=O)/c(=N\NC(N)=S)oc2c1
InChIInChI=1S/C13H14N4O3S/c1-2-19-8-4-3-7-5-9(11(14)18)12(16-17-13(15)21)20-10(7)6-8/h3-6H,2H2,1H3,(H2,14,18)(H3,15,17,21)/b16-12+
InChIKeyOIOHOERFFQMOAO-FOWTUZBSSA-N
XLogP0.58
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
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 (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide 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

(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 95796044
2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide
CID 4133031
N-[(E)-(3-carbamoylchromen-2-ylidene)amino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 95796047
2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide
CID 5201553
[(3-acetylchromen-2-ylidene)amino]thiourea
CID 123442126
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
1-(6-ethoxy-1-benzofuran-2-yl)ethanone
CID 146562669
N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-7-(diethylamino)chromene-3-carboxamide
CID 2316813
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135457285
2,4-diethoxybenzamide
CID 17145726

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide?
The IUPAC name of (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide (CID 6279835) is (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide.
What is the SMILES notation for (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide?
The canonical SMILES for (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide is CCOc1ccc2cc(C(N)=O)/c(=N\NC(N)=S)oc2c1.
What is the InChIKey of (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide?
The InChIKey is OIOHOERFFQMOAO-FOWTUZBSSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-2-19-8-4-3-7-5-9(11(14)18)12(16-17-13(15)21)20-10(7)6-8/h3-6H,2H2,1H3,(H2,14,18)(H3,15,17,21)/b16-12+.
What are the key properties of (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide?
(2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(carbamothioylhydrazinylidene)-7-ethoxychromene-3-carboxamide is sourced from PubChem (CID 6279835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).