1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea

C22H23N3S — CID 170788068

IUPAC1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC(c2ccccc2)C(N)c2ccccc2)cc1
InChIInChI=1S/C22H23N3S/c1-16-12-14-19(15-13-16)24-22(26)25-21(18-10-6-3-7-11-18)20(23)17-8-4-2-5-9-17/h2-15,20-21H,23H2,1H3,(H2,24,25,26)
InChIKeyLZSFCGUEVZLTMR-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.72
Rot. Bonds5

About 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea

1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea (PubChem CID 170788068) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea
PubChem CID170788068
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Name1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NC(c2ccccc2)C(N)c2ccccc2)cc1
InChIInChI=1S/C22H23N3S/c1-16-12-14-19(15-13-16)24-22(26)25-21(18-10-6-3-7-11-18)20(23)17-8-4-2-5-9-17/h2-15,20-21H,23H2,1H3,(H2,24,25,26)
InChIKeyLZSFCGUEVZLTMR-UHFFFAOYSA-N
XLogP4.72
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-[(1R,2R)-2-amino-1,2-diphenylethyl]-3-phenylurea
CID 100952143
1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea
CID 3896761
1-(4-methylanilino)-3-phenylthiourea
CID 3293751
1-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 8654833
1-[(S)-(3-methylphenyl)-phenylmethyl]-3-phenylthiourea
CID 100726368
benzyl 2-[(4-methylphenyl)carbamothioylamino]-3-phenylpropanoate
CID 135183764
1-[(2R)-butan-2-yl]-3-(4-methylphenyl)thiourea
CID 8619656
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
1-[(1R,2S)-2-amino-1,2-diphenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 57063171
1-(4-methylphenyl)-3-[(2R)-4-methyl-4-phenylpentan-2-yl]thiourea
CID 100713378
1-[(R)-(2-methylphenyl)-phenylmethyl]-3-phenylthiourea
CID 92646547

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea (CID 170788068) is 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)NC(c2ccccc2)C(N)c2ccccc2)cc1.
What is the InChIKey of 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea?
The InChIKey is LZSFCGUEVZLTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3S/c1-16-12-14-19(15-13-16)24-22(26)25-21(18-10-6-3-7-11-18)20(23)17-8-4-2-5-9-17/h2-15,20-21H,23H2,1H3,(H2,24,25,26).
What are the key properties of 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea?
1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea has a molecular weight of 361.51 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,2-diphenylethyl)-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 170788068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).