1-cyclopropyl-3-(3-phenoxyphenyl)thiourea

C16H16N2OS — CID 115570462

IUPAC1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
SMILESS=C(Nc1cccc(Oc2ccccc2)c1)NC1CC1
InChIInChI=1S/C16H16N2OS/c20-16(17-12-9-10-12)18-13-5-4-8-15(11-13)19-14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H2,17,18,20)
InChIKeyDTAWJLYYFTYPDZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.93
Rot. Bonds4

About 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea

1-cyclopropyl-3-(3-phenoxyphenyl)thiourea (PubChem CID 115570462) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
PubChem CID115570462
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
SMILESS=C(Nc1cccc(Oc2ccccc2)c1)NC1CC1
InChIInChI=1S/C16H16N2OS/c20-16(17-12-9-10-12)18-13-5-4-8-15(11-13)19-14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H2,17,18,20)
InChIKeyDTAWJLYYFTYPDZ-UHFFFAOYSA-N
XLogP3.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-3-(4-phenylcyclohexyl)thiourea
CID 45368524
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
1-cyclopropyl-3-(3-prop-2-enoxyphenyl)thiourea
CID 47511985
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea
CID 971568
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
1-cyclopropyl-3-(4-phenylphenyl)thiourea
CID 7942442
1-(1-benzoylpiperidin-4-yl)-3-(4-phenoxyphenyl)thiourea
CID 92519825
1-amino-2-cyclopropyl-3-(3-phenoxyphenyl)guanidine
CID 116514298
1-(1,1-dioxothiolan-3-yl)-3-(4-phenoxyphenyl)thiourea
CID 4968946

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea (CID 115570462) is 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea is S=C(Nc1cccc(Oc2ccccc2)c1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea?
The InChIKey is DTAWJLYYFTYPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c20-16(17-12-9-10-12)18-13-5-4-8-15(11-13)19-14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H2,17,18,20).
What are the key properties of 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea?
1-cyclopropyl-3-(3-phenoxyphenyl)thiourea has a molecular weight of 284.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-phenoxyphenyl)thiourea is sourced from PubChem (CID 115570462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).