1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea

C16H24N2S — CID 162350823

IUPAC1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)N[C@@H](C)C2CCCCC2)cc1
InChIInChI=1S/C16H24N2S/c1-12-8-10-15(11-9-12)18-16(19)17-13(2)14-6-4-3-5-7-14/h8-11,13-14H,3-7H2,1-2H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyBUXBMVHLQUDQFG-ZDUSSCGKSA-N
MW276.45 g/mol
LogP4.25
Rot. Bonds3

About 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea

1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea (PubChem CID 162350823) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea
PubChem CID162350823
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)N[C@@H](C)C2CCCCC2)cc1
InChIInChI=1S/C16H24N2S/c1-12-8-10-15(11-9-12)18-16(19)17-13(2)14-6-4-3-5-7-14/h8-11,13-14H,3-7H2,1-2H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyBUXBMVHLQUDQFG-ZDUSSCGKSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)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-(1-cyclopentylethyl)-3-phenylthiourea
CID 113235708
1-(3-chloro-4-fluorophenyl)-3-[(1S)-1-cyclohexylethyl]thiourea
CID 42645366
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
1-propan-2-yl-3-[4-(propan-2-ylcarbamothioylamino)phenyl]thiourea
CID 163289921
1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea
CID 3896761
1-[(2R)-butan-2-yl]-3-(4-methylphenyl)thiourea
CID 8619656
1-[(1R)-1-cyclohexylethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3002367
1-cyclohexyl-3-(1-cyclopropylethyl)thiourea
CID 115573118
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea
CID 100670837
1-(4-cyclopentyloxyphenyl)-3-(4-methylphenyl)thiourea
CID 100639528
1-(4-methylphenyl)-3-[1-(4-piperidin-1-ylphenyl)ethyl]thiourea
CID 133154952
2-amino-N-(1-cyclohexylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667022

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea (CID 162350823) is 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)N[C@@H](C)C2CCCCC2)cc1.
What is the InChIKey of 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea?
The InChIKey is BUXBMVHLQUDQFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12-8-10-15(11-9-12)18-16(19)17-13(2)14-6-4-3-5-7-14/h8-11,13-14H,3-7H2,1-2H3,(H2,17,18,19)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea?
1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea has a molecular weight of 276.45 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclohexylethyl]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 162350823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).