1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

C19H24N2S — CID 19675461

IUPAC1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCc1ccccc1NC(=S)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H24N2S/c1-13(2)16-9-11-17(12-10-16)15(4)20-19(22)21-18-8-6-5-7-14(18)3/h5-13,15H,1-4H3,(H2,20,21,22)
InChIKeyDJTQMZWIDIXPSU-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.17
Rot. Bonds4

About 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea

1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (PubChem CID 19675461) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
PubChem CID19675461
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
SMILESCc1ccccc1NC(=S)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H24N2S/c1-13(2)16-9-11-17(12-10-16)15(4)20-19(22)21-18-8-6-5-7-14(18)3/h5-13,15H,1-4H3,(H2,20,21,22)
InChIKeyDJTQMZWIDIXPSU-UHFFFAOYSA-N
XLogP5.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.17
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-methylphenyl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 8684457
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8629060
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 7775056
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 8676542
1-benzhydryl-3-(2-methylphenyl)thiourea
CID 8615084
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8656271
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-(2-methylsulfanylphenyl)-3-(1-phenylethyl)thiourea
CID 19648711
1-(2-methylphenyl)-3-(3-propan-2-ylphenyl)thiourea
CID 53488678

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The IUPAC name of 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea (CID 19675461) is 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is Cc1ccccc1NC(=S)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
The InChIKey is DJTQMZWIDIXPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-13(2)16-9-11-17(12-10-16)15(4)20-19(22)21-18-8-6-5-7-14(18)3/h5-13,15H,1-4H3,(H2,20,21,22).
What are the key properties of 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea?
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea has a molecular weight of 312.48 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea is sourced from PubChem (CID 19675461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).