2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide

C12H12N4O3S — CID 4133031

IUPAC2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2oc(=NNC(N)=S)c(C(N)=O)cc2c1
InChIInChI=1S/C12H12N4O3S/c1-18-7-2-3-9-6(4-7)5-8(10(13)17)11(19-9)15-16-12(14)20/h2-5H,1H3,(H2,13,17)(H3,14,16,20)
InChIKeyKKVFWIMKXWUFBA-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.19
Rot. Bonds3

About 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide

2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide (PubChem CID 4133031) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide
PubChem CID4133031
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide
SMILESCOc1ccc2oc(=NNC(N)=S)c(C(N)=O)cc2c1
InChIInChI=1S/C12H12N4O3S/c1-18-7-2-3-9-6(4-7)5-8(10(13)17)11(19-9)15-16-12(14)20/h2-5H,1H3,(H2,13,17)(H3,14,16,20)
InChIKeyKKVFWIMKXWUFBA-UHFFFAOYSA-N
XLogP0.19
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.19
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'}

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Related Compounds

6-methoxy-2-[(4-nitrobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3576903
2-[(4-methoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 3459938
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
2-(furan-2-carbonylhydrazinylidene)-7-methoxychromene-3-carboxamide
CID 5201553
[(3-acetylchromen-2-ylidene)amino]thiourea
CID 123442126
2-(3-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 4987314
(2E)-2-[(4-ethoxybenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 95796044
N-[[amino-(6-methoxy-2-oxochromen-3-yl)methylidene]amino]pyridin-1-ium-4-carboxamide
CID 135485328
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-acetyl-2-(4-acetylphenyl)imino-6-methoxychromene-3-carboxamide
CID 1020902
2-[(4-fluorobenzoyl)hydrazinylidene]chromene-3-carboxamide
CID 5186461
2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 4986523

Frequently Asked Questions

What is the IUPAC name of 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide?
The IUPAC name of 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide (CID 4133031) is 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide is COc1ccc2oc(=NNC(N)=S)c(C(N)=O)cc2c1.
What is the InChIKey of 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide?
The InChIKey is KKVFWIMKXWUFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-18-7-2-3-9-6(4-7)5-8(10(13)17)11(19-9)15-16-12(14)20/h2-5H,1H3,(H2,13,17)(H3,14,16,20).
What are the key properties of 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide?
2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamothioylhydrazinylidene)-6-methoxychromene-3-carboxamide is sourced from PubChem (CID 4133031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).