1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea

C22H23N3S — CID 9232743

IUPAC1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C22H23N3S/c1-16(2)17-8-10-20(11-9-17)24-22(26)25-21(18-6-4-3-5-7-18)19-12-14-23-15-13-19/h3-16,21H,1-2H3,(H2,24,25,26)/t21-/m1/s1
InChIKeyWVBJBEYHJRIORY-OAQYLSRUSA-N
MW361.51 g/mol
LogP5.28
Rot. Bonds5

About 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea

1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 9232743) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea
PubChem CID9232743
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Name1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C22H23N3S/c1-16(2)17-8-10-20(11-9-17)24-22(26)25-21(18-6-4-3-5-7-18)19-12-14-23-15-13-19/h3-16,21H,1-2H3,(H2,24,25,26)/t21-/m1/s1
InChIKeyWVBJBEYHJRIORY-OAQYLSRUSA-N
XLogP5.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylphenyl)-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9232815
1-benzhydryl-3-(3,4-dichlorophenyl)thiourea
CID 4116279
1-(3-bromophenyl)-3-[(R)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9236941
1-(3-chloro-2-methylphenyl)-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9232692
1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-benzhydryl-3-(3-methylphenyl)thiourea
CID 19651934
1-(4-cyanophenyl)-3-[phenyl(pyridin-3-yl)methyl]thiourea
CID 10688822
1-(3-chloro-4-methoxyphenyl)-3-[(4-methylphenyl)-phenylmethyl]thiourea
CID 133215781
1-[(S)-(3-methylphenyl)-phenylmethyl]-3-phenylthiourea
CID 100726368
1-(3,4-dichlorophenyl)-3-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea
CID 40648044
1-(3-chloro-4-methylphenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216282

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea (CID 9232743) is 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea is CC(C)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is WVBJBEYHJRIORY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3S/c1-16(2)17-8-10-20(11-9-17)24-22(26)25-21(18-6-4-3-5-7-18)19-12-14-23-15-13-19/h3-16,21H,1-2H3,(H2,24,25,26)/t21-/m1/s1.
What are the key properties of 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea?
1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 361.51 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 9232743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).