1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea

C14H13N3OS — CID 5391885

IUPAC1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea
SMILESOc1cccc(/C=N\NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C14H13N3OS/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h1-10,18H,(H2,16,17,19)/b15-10-
InChIKeyNCHUSBPRQKECMH-GDNBJRDFSA-N
MW271.35 g/mol
LogP2.71
Rot. Bonds3

About 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea

1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea (PubChem CID 5391885) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea
PubChem CID5391885
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea
SMILESOc1cccc(/C=N\NC(=S)Nc2ccccc2)c1
InChIInChI=1S/C14H13N3OS/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h1-10,18H,(H2,16,17,19)/b15-10-
InChIKeyNCHUSBPRQKECMH-GDNBJRDFSA-N
XLogP2.71
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea (CID 5391885) is 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea is Oc1cccc(/C=N\NC(=S)Nc2ccccc2)c1.
What is the InChIKey of 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea?
The InChIKey is NCHUSBPRQKECMH-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h1-10,18H,(H2,16,17,19)/b15-10-.
What are the key properties of 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea?
1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea has a molecular weight of 271.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-phenylthiourea is sourced from PubChem (CID 5391885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).