1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea

C16H18N2OS — CID 17150868

IUPAC1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
SMILESCC(C)Oc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-12(2)19-15-11-7-6-10-14(15)18-16(20)17-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18,20)
InChIKeyTWVLEIJKCAOLJK-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.28
Rot. Bonds4

About 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea

1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea (PubChem CID 17150868) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
PubChem CID17150868
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea
SMILESCC(C)Oc1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-12(2)19-15-11-7-6-10-14(15)18-16(20)17-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18,20)
InChIKeyTWVLEIJKCAOLJK-UHFFFAOYSA-N
XLogP4.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.28
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-[2-(difluoromethoxy)phenyl]-3-phenylthiourea
CID 3426180
N-(2-propan-2-yloxyphenyl)benzenecarbothioamide
CID 101432732
1-[2-(2-methylpropoxy)phenyl]-3-phenylthiourea
CID 17074218
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
1-phenyl-3-[2-[2-[2-(phenylcarbamothioylamino)phenoxy]ethoxy]phenyl]thiourea
CID 10346407
2,2-diphenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151042
2-phenyl-N-[(2-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17151053
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
1-(2-methylsulfanylphenyl)-3-phenylthiourea
CID 17281496
1-(4-acetylphenyl)-3-[2-(difluoromethoxy)phenyl]thiourea
CID 17284899
N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
CID 17151100
1-[4-(difluoromethoxy)phenyl]-3-(2-phenoxyphenyl)thiourea
CID 7941483

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea?
The IUPAC name of 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea (CID 17150868) is 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea.
What is the SMILES notation for 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea?
The canonical SMILES for 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea is CC(C)Oc1ccccc1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea?
The InChIKey is TWVLEIJKCAOLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12(2)19-15-11-7-6-10-14(15)18-16(20)17-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18,20).
What are the key properties of 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea?
1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea has a molecular weight of 286.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-propan-2-yloxyphenyl)thiourea is sourced from PubChem (CID 17150868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).