1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea

C19H23ClN2OS — CID 54159371

IUPAC1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea
SMILESCCCCC(O)(c1ccccc1)c1ccc(Cl)cc1NC(=S)NC
InChIInChI=1S/C19H23ClN2OS/c1-3-4-12-19(23,14-8-6-5-7-9-14)16-11-10-15(20)13-17(16)22-18(24)21-2/h5-11,13,23H,3-4,12H2,1-2H3,(H2,21,22,24)
InChIKeyONININHHRWRQJQ-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.68
Rot. Bonds6

About 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea

1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea (PubChem CID 54159371) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea
PubChem CID54159371
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea
SMILESCCCCC(O)(c1ccccc1)c1ccc(Cl)cc1NC(=S)NC
InChIInChI=1S/C19H23ClN2OS/c1-3-4-12-19(23,14-8-6-5-7-9-14)16-11-10-15(20)13-17(16)22-18(24)21-2/h5-11,13,23H,3-4,12H2,1-2H3,(H2,21,22,24)
InChIKeyONININHHRWRQJQ-UHFFFAOYSA-N
XLogP4.68
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea 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-(5-chloro-2-methylphenyl)-3-methylthiourea
CID 2252731
1-(2,4-dimethylphenyl)-1-phenylpentan-1-ol
CID 14907355
1-(2-bromo-5-chlorophenyl)-3-butylthiourea
CID 116509564
1-(2-butylphenyl)-3-(2,5-dichlorophenyl)thiourea
CID 17299089
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
1-(2,5-dichlorophenyl)-3-heptylthiourea
CID 19650844
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584
3-chloro-1-(2,5-dichlorophenyl)-1-phenylpropan-1-ol
CID 116696329
5-chloro-2-(methylcarbamothioylamino)benzoic acid
CID 91687135
1-(5-chloro-2-methylphenyl)-3-propylthiourea
CID 6992117
1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834786
N-[(5-chloro-2-methylphenyl)carbamothioyl]pentanamide
CID 19187754

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea?
The IUPAC name of 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea (CID 54159371) is 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea.
What is the SMILES notation for 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea?
The canonical SMILES for 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea is CCCCC(O)(c1ccccc1)c1ccc(Cl)cc1NC(=S)NC.
What is the InChIKey of 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea?
The InChIKey is ONININHHRWRQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-3-4-12-19(23,14-8-6-5-7-9-14)16-11-10-15(20)13-17(16)22-18(24)21-2/h5-11,13,23H,3-4,12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea?
1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea has a molecular weight of 362.93 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1-hydroxy-1-phenylpentyl)phenyl]-3-methylthiourea is sourced from PubChem (CID 54159371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).