1-amino-3-(4-phenylmethoxyphenyl)thiourea

C14H15N3OS — CID 2747162

IUPAC1-amino-3-(4-phenylmethoxyphenyl)thiourea
SMILESNNC(=S)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19)
InChIKeySSEUFZMKDSZKBU-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.43
Rot. Bonds4

About 1-amino-3-(4-phenylmethoxyphenyl)thiourea

1-amino-3-(4-phenylmethoxyphenyl)thiourea (PubChem CID 2747162) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-amino-3-(4-phenylmethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(4-phenylmethoxyphenyl)thiourea
PubChem CID2747162
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-amino-3-(4-phenylmethoxyphenyl)thiourea
SMILESNNC(=S)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19)
InChIKeySSEUFZMKDSZKBU-UHFFFAOYSA-N
XLogP2.43
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-amino-3-(4-phenylmethoxyphenyl)thiourea?
The IUPAC name of 1-amino-3-(4-phenylmethoxyphenyl)thiourea (CID 2747162) is 1-amino-3-(4-phenylmethoxyphenyl)thiourea.
What is the SMILES notation for 1-amino-3-(4-phenylmethoxyphenyl)thiourea?
The canonical SMILES for 1-amino-3-(4-phenylmethoxyphenyl)thiourea is NNC(=S)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-amino-3-(4-phenylmethoxyphenyl)thiourea?
The InChIKey is SSEUFZMKDSZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19).
What are the key properties of 1-amino-3-(4-phenylmethoxyphenyl)thiourea?
1-amino-3-(4-phenylmethoxyphenyl)thiourea has a molecular weight of 273.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-phenylmethoxyphenyl)thiourea is sourced from PubChem (CID 2747162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).