1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea

C17H20N2S — CID 53488678

IUPAC1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea
SMILESCc1ccccc1NC(=S)Nc1cccc(C(C)C)c1
InChIInChI=1S/C17H20N2S/c1-12(2)14-8-6-9-15(11-14)18-17(20)19-16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyLPNIVYFJGFXJHL-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.93
Rot. Bonds3

About 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea

1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea (PubChem CID 53488678) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea
PubChem CID53488678
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea
SMILESCc1ccccc1NC(=S)Nc1cccc(C(C)C)c1
InChIInChI=1S/C17H20N2S/c1-12(2)14-8-6-9-15(11-14)18-17(20)19-16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyLPNIVYFJGFXJHL-UHFFFAOYSA-N
XLogP4.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53365175
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
3-[(3-propan-2-ylphenyl)carbamothioylamino]benzamide
CID 53365173
1-(3,5-dimethoxyphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53488693
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-(4-chloro-2,5-dimethoxyphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53365187
1-[2-methyl-5-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea
CID 3654028
1-(1,3-benzodioxol-5-yl)-3-(3-propan-2-ylphenyl)thiourea
CID 53365169
ethyl 3-[(2-methylphenyl)carbamothioylamino]benzoate
CID 19687773
1-benzhydryl-3-(2-methylphenyl)thiourea
CID 8615084
1-butyl-3-(3-propan-2-ylphenyl)thiourea
CID 113218399
1-(2,6-dimethylphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 699953

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea (CID 53488678) is 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea is Cc1ccccc1NC(=S)Nc1cccc(C(C)C)c1.
What is the InChIKey of 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea?
The InChIKey is LPNIVYFJGFXJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12(2)14-8-6-9-15(11-14)18-17(20)19-16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea?
1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea has a molecular weight of 284.43 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 53488678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).