1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea

C15H15N3OS — CID 167530471

IUPAC1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea
SMILESCNC(=S)NN=C(c1ccccc1)c1ccccc1O
InChIInChI=1S/C15H15N3OS/c1-16-15(20)18-17-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)19/h2-10,19H,1H3,(H2,16,18,20)
InChIKeyBATZQBRPQLXETO-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.24
Rot. Bonds3

About 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea

1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea (PubChem CID 167530471) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea
PubChem CID167530471
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea
SMILESCNC(=S)NN=C(c1ccccc1)c1ccccc1O
InChIInChI=1S/C15H15N3OS/c1-16-15(20)18-17-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)19/h2-10,19H,1H3,(H2,16,18,20)
InChIKeyBATZQBRPQLXETO-UHFFFAOYSA-N
XLogP2.24
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
1-methyl-3-[(Z)-[(6-methyl-2-pyridinyl)-phenylmethylidene]amino]thiourea
CID 71552673
[[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]thiourea
CID 3958079
1-methyl-3-[(E)-1-[3-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethylideneamino]thiourea
CID 139163904
1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea
CID 9071843
2-[N-[(1S,2S)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-1,2-diphenylethyl]-C-phenylcarbonimidoyl]phenol
CID 136694433
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-methylthiourea
CID 54757236
1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 4317161
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 6263609
4-[[bis(2-hydroxyphenyl)methylideneamino]carbamoyl]benzoic acid
CID 139929758
cobalt;bis(methyl N-(benzhydrylideneamino)carbamodithioate)
CID 50910839

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea?
The IUPAC name of 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea (CID 167530471) is 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea.
What is the SMILES notation for 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea?
The canonical SMILES for 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea is CNC(=S)NN=C(c1ccccc1)c1ccccc1O.
What is the InChIKey of 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea?
The InChIKey is BATZQBRPQLXETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-16-15(20)18-17-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)19/h2-10,19H,1H3,(H2,16,18,20).
What are the key properties of 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea?
1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea has a molecular weight of 285.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea is sourced from PubChem (CID 167530471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).