(2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium

C14H14N3OS+ — CID 3652022

IUPAC(2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium
SMILESOc1ccccc1C=[NH+]NC(=S)Nc1ccccc1
InChIInChI=1S/C14H13N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/p+1
InChIKeyBKJAPBJJTOJXEZ-UHFFFAOYSA-O
MW272.35 g/mol
LogP0.79
Rot. Bonds3

About (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium

(2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium (PubChem CID 3652022) has the molecular formula C14H14N3OS+ and a molecular weight of 272.35 g/mol. Its IUPAC name is (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium.

Molecular Properties

Compound Name(2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium
PubChem CID3652022
Molecular FormulaC14H14N3OS+
Molecular Weight272.35 g/mol
Exact Mass272.09
IUPAC Name(2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium
SMILESOc1ccccc1C=[NH+]NC(=S)Nc1ccccc1
InChIInChI=1S/C14H13N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/p+1
InChIKeyBKJAPBJJTOJXEZ-UHFFFAOYSA-O
XLogP0.79
TPSA58.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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 (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium 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

(4-fluorophenyl)methylidene-(phenylcarbamothioylamino)azanium
CID 3652016
[2-[(2-methylphenyl)methoxy]phenyl]methylidene-(phenylcarbamothioylamino)azanium
CID 3568111
(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene-(phenylcarbamothioylamino)azanium
CID 3663072
(3-methoxyphenyl)methylidene-(phenylcarbamothioylamino)azanium
CID 3680298
[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene-(phenylcarbamothioylamino)azanium
CID 3679852
[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium
CID 3679862
(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene-(phenylcarbamothioylamino)azanium
CID 135715669
[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene-(phenylcarbamothioylamino)azanium
CID 3668746
(2-ethoxynaphthalen-1-yl)methylidene-(phenylcarbamothioylamino)azanium
CID 5055045
1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
CID 137250068
1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
1-(cyclodecapentaenyl)-3-methylthiourea
CID 166736589

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium?
The IUPAC name of (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium (CID 3652022) is (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium.
What is the SMILES notation for (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium?
The canonical SMILES for (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium is Oc1ccccc1C=[NH+]NC(=S)Nc1ccccc1.
What is the InChIKey of (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium?
The InChIKey is BKJAPBJJTOJXEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h1-10,18H,(H2,16,17,19)/p+1.
What are the key properties of (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium?
(2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium has a molecular weight of 272.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methylidene-(phenylcarbamothioylamino)azanium is sourced from PubChem (CID 3652022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).