1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea

C16H19N3S — CID 100651617

IUPAC1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea
SMILESCC[C@H](NC(=S)Nc1cccnc1)c1ccc(C)cc1
InChIInChI=1S/C16H19N3S/c1-3-15(13-8-6-12(2)7-9-13)19-16(20)18-14-5-4-10-17-11-14/h4-11,15H,3H2,1-2H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyNIAJOBFYZRIQKK-HNNXBMFYSA-N
MW285.42 g/mol
LogP3.83
Rot. Bonds4

About 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea

1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea (PubChem CID 100651617) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea
PubChem CID100651617
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea
SMILESCC[C@H](NC(=S)Nc1cccnc1)c1ccc(C)cc1
InChIInChI=1S/C16H19N3S/c1-3-15(13-8-6-12(2)7-9-13)19-16(20)18-14-5-4-10-17-11-14/h4-11,15H,3H2,1-2H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyNIAJOBFYZRIQKK-HNNXBMFYSA-N
XLogP3.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea 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-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
1-[(1R)-1-(4-bromophenyl)propyl]-3-(4-methylphenyl)thiourea
CID 8657365
1-(3,4-dichlorophenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 27519171
1-(3,4-dichlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 27519172
1-[1-(4-methylphenyl)propyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 133215492
1-(3,4-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675395
1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100651701
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375
1-[1-(4-tert-butylphenyl)ethyl]-3-pyridin-3-ylthiourea
CID 133184145
1-[(1R)-1-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100650624
1-(3,4-difluorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]thiourea
CID 100650729
methyl 3-[[(1S)-1-(4-methylphenyl)propyl]carbamothioylamino]benzoate
CID 100650881

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea?
The IUPAC name of 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea (CID 100651617) is 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea is CC[C@H](NC(=S)Nc1cccnc1)c1ccc(C)cc1.
What is the InChIKey of 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea?
The InChIKey is NIAJOBFYZRIQKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-15(13-8-6-12(2)7-9-13)19-16(20)18-14-5-4-10-17-11-14/h4-11,15H,3H2,1-2H3,(H2,18,19,20)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea?
1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea has a molecular weight of 285.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methylphenyl)propyl]-3-pyridin-3-ylthiourea is sourced from PubChem (CID 100651617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).