1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea

C19H24N2S — CID 19675189

IUPAC1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea
SMILESCc1ccc(CNC(=S)NC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2S/c1-13-6-9-17(10-7-13)12-20-19(22)21-16(4)18-11-14(2)5-8-15(18)3/h5-11,16H,12H2,1-4H3,(H2,20,21,22)
InChIKeyBFNJTVFTFVJOFE-UHFFFAOYSA-N
MW312.48 g/mol
LogP4.34
Rot. Bonds4

About 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea

1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea (PubChem CID 19675189) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea
PubChem CID19675189
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea
SMILESCc1ccc(CNC(=S)NC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2S/c1-13-6-9-17(10-7-13)12-20-19(22)21-16(4)18-11-14(2)5-8-15(18)3/h5-11,16H,12H2,1-4H3,(H2,20,21,22)
InChIKeyBFNJTVFTFVJOFE-UHFFFAOYSA-N
XLogP4.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.34
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-[(4-chlorophenyl)methyl]-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 27516908
1-[4-(cyanomethyl)phenyl]-3-[1-(2,5-dimethylphenyl)ethyl]thiourea
CID 133154409
1-[1-(2,5-dimethylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17298995
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
1-butyl-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675256
1-benzyl-3-[1-(3,4-dimethylphenyl)ethyl]thiourea
CID 19675014
1-(4-bromo-3-methylphenyl)-3-[(1R)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670113
1-[1-(2,5-dimethylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133154446
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675268
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
1-(3,4-dimethoxyphenyl)-3-[1-(2,5-dimethylphenyl)ethyl]thiourea
CID 19675164
1-ethyl-3-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]thiourea
CID 9096213

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea (CID 19675189) is 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea is Cc1ccc(CNC(=S)NC(C)c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea?
The InChIKey is BFNJTVFTFVJOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-13-6-9-17(10-7-13)12-20-19(22)21-16(4)18-11-14(2)5-8-15(18)3/h5-11,16H,12H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea?
1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea has a molecular weight of 312.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]thiourea is sourced from PubChem (CID 19675189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).