1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea

C14H14N4O2S — CID 135519989

IUPAC1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
SMILESCOc1ccc(O)c(/C=N/NC(=S)Nc2cccnc2)c1
InChIInChI=1S/C14H14N4O2S/c1-20-12-4-5-13(19)10(7-12)8-16-18-14(21)17-11-3-2-6-15-9-11/h2-9,19H,1H3,(H2,17,18,21)/b16-8+
InChIKeyNYWJPDOBBYTDTL-LZYBPNLTSA-N
MW302.36 g/mol
LogP2.12
Rot. Bonds4

About 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea

1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea (PubChem CID 135519989) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
PubChem CID135519989
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
SMILESCOc1ccc(O)c(/C=N/NC(=S)Nc2cccnc2)c1
InChIInChI=1S/C14H14N4O2S/c1-20-12-4-5-13(19)10(7-12)8-16-18-14(21)17-11-3-2-6-15-9-11/h2-9,19H,1H3,(H2,17,18,21)/b16-8+
InChIKeyNYWJPDOBBYTDTL-LZYBPNLTSA-N
XLogP2.12
TPSA78.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea 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-[[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea
CID 135521485
Pyridine, 3-[[[2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazino]carbonothioyl]amino]-
CID 9562864
1-[(E)-(2-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
CID 9560801
4-{[3-(2-methoxyphenyl)-2-propen-1-ylidene]amino}-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
CID 6866864
1-(m-Anisylideneamino)-3-(3-pyridyl)thiourea
CID 9661081
1-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea
CID 135517192
3-{[(4-Hydroxyphenyl)methylidene]amino}-1-(pyridin-3-yl)thiourea
CID 135541140
1-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea
CID 135541149
1-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
CID 162646722
4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CID 6880451
4-methoxy-2-[(E)-(2-pyridylhydrazono)methyl]phenol
CID 135509058
1-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea
CID 135510262

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea?
The IUPAC name of 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea (CID 135519989) is 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea is COc1ccc(O)c(/C=N/NC(=S)Nc2cccnc2)c1.
What is the InChIKey of 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea?
The InChIKey is NYWJPDOBBYTDTL-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-20-12-4-5-13(19)10(7-12)8-16-18-14(21)17-11-3-2-6-15-9-11/h2-9,19H,1H3,(H2,17,18,21)/b16-8+.
What are the key properties of 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea?
1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea has a molecular weight of 302.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-pyridin-3-ylthiourea is sourced from PubChem (CID 135519989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).