1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea

C15H18N6O2S2 — CID 162740797

IUPAC1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
SMILESCNC(=S)N/N=C\C(=N\NC(=S)NC)c1cc2cccc(OC)c2o1
InChIInChI=1S/C15H18N6O2S2/c1-16-14(24)20-18-8-10(19-21-15(25)17-2)12-7-9-5-4-6-11(22-3)13(9)23-12/h4-8H,1-3H3,(H2,16,20,24)(H2,17,21,25)/b18-8-,19-10-
InChIKeyPWQRSTNODIJJSO-IECKAUOHSA-N
MW378.48 g/mol
LogP1.32
Rot. Bonds5

About 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea

1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea (PubChem CID 162740797) has the molecular formula C15H18N6O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
PubChem CID162740797
Molecular FormulaC15H18N6O2S2
Molecular Weight378.48 g/mol
Exact Mass378.09
IUPAC Name1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
SMILESCNC(=S)N/N=C\C(=N\NC(=S)NC)c1cc2cccc(OC)c2o1
InChIInChI=1S/C15H18N6O2S2/c1-16-14(24)20-18-8-10(19-21-15(25)17-2)12-7-9-5-4-6-11(22-3)13(9)23-12/h4-8H,1-3H3,(H2,16,20,24)(H2,17,21,25)/b18-8-,19-10-
InChIKeyPWQRSTNODIJJSO-IECKAUOHSA-N
XLogP1.32
TPSA95.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea 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

1-[(Z)-[(2E)-1-(furan-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea
CID 167361148
1-cyclopropyl-3-[(E)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]thiourea
CID 75362093
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256403
1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175722
N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 1489109
O-ethyl N-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)-2-phenylethylidene]amino]carbamothioate
CID 146412293
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 137051285
7-methoxy-N-[(Z)-(1-methylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50853406
8-methoxy-2-oxochromene-3-carboxamide;methylthiourea
CID 21235892
1-methyl-3-[(Z)-[(2E)-2-(methylcarbamothioylhydrazinylidene)-1-[5-[(3,3,5,5-tetramethylmorpholin-4-yl)methyl]furan-2-yl]ethylidene]amino]thiourea
CID 162740931

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea?
The IUPAC name of 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea (CID 162740797) is 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea.
What is the SMILES notation for 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea?
The canonical SMILES for 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea is CNC(=S)N/N=C\C(=N\NC(=S)NC)c1cc2cccc(OC)c2o1.
What is the InChIKey of 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea?
The InChIKey is PWQRSTNODIJJSO-IECKAUOHSA-N. The full InChI is InChI=1S/C15H18N6O2S2/c1-16-14(24)20-18-8-10(19-21-15(25)17-2)12-7-9-5-4-6-11(22-3)13(9)23-12/h4-8H,1-3H3,(H2,16,20,24)(H2,17,21,25)/b18-8-,19-10-.
What are the key properties of 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea?
1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea has a molecular weight of 378.48 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(2Z)-1-(7-methoxy-1-benzofuran-2-yl)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]-3-methylthiourea is sourced from PubChem (CID 162740797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).