1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea

C17H20N2OS — CID 8657811

IUPAC1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NOCc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13(2)15-8-10-16(11-9-15)18-17(21)19-20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21)
InChIKeyYBVKXIDISLFUHK-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.23
Rot. Bonds5

About 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea

1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 8657811) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea
PubChem CID8657811
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NOCc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13(2)15-8-10-16(11-9-15)18-17(21)19-20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21)
InChIKeyYBVKXIDISLFUHK-UHFFFAOYSA-N
XLogP4.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19650217
1-[(2R)-2-benzylbutyl]-3-(4-propan-2-ylphenyl)thiourea
CID 100704194
1-(1-benzylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 17298835
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
1-benzyl-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8619912
ethyl N-[(4-propan-2-ylphenyl)carbamothioylamino]carbamate
CID 7988099
ethyl N-[(4-propan-2-ylphenyl)carbamothioyl]carbamate
CID 86625912
1-(benzhydrylideneamino)-3-(4-propan-2-ylphenyl)thiourea
CID 4236190
1-(2,2-dimethoxyethyl)-3-phenylthiourea
CID 1474302
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea (CID 8657811) is 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea is CC(C)c1ccc(NC(=S)NOCc2ccccc2)cc1.
What is the InChIKey of 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is YBVKXIDISLFUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(2)15-8-10-16(11-9-15)18-17(21)19-20-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea?
1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 300.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 8657811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).