1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea

C16H17ClN2OS — CID 40648030

IUPAC1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea
SMILESC[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H17ClN2OS/c1-11(15(20)12-5-3-2-4-6-12)18-16(21)19-14-9-7-13(17)8-10-14/h2-11,15,20H,1H3,(H2,18,19,21)/t11-,15+/m1/s1
InChIKeyVEWZSUWXBOWEHM-ABAIWWIYSA-N
MW320.85 g/mol
LogP3.75
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea

1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea (PubChem CID 40648030) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea
PubChem CID40648030
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea
SMILESC[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H17ClN2OS/c1-11(15(20)12-5-3-2-4-6-12)18-16(21)19-14-9-7-13(17)8-10-14/h2-11,15,20H,1H3,(H2,18,19,21)/t11-,15+/m1/s1
InChIKeyVEWZSUWXBOWEHM-ABAIWWIYSA-N
XLogP3.75
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]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-(3,4-dichlorophenyl)-3-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea
CID 40648044
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 3885285
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)ethyl]thiourea
CID 8676014
1-(3-methylbutan-2-yl)-3-phenylthiourea
CID 76615108
1-[(2S)-3-methylbutan-2-yl]-3-phenylthiourea
CID 89162476
2-[(4-chlorophenyl)carbamothioylamino]propanoic acid
CID 87649515
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 84836162
1-(4-chlorophenyl)-3-pentan-3-ylthiourea
CID 8669297
1-(3-chloro-4-fluorophenyl)-3-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea
CID 8696323
1-benzhydryl-3-(3,4-dichlorophenyl)thiourea
CID 4116279
1-[(R)-phenyl(pyridin-4-yl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 9232743

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea (CID 40648030) is 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea is C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea?
The InChIKey is VEWZSUWXBOWEHM-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11(15(20)12-5-3-2-4-6-12)18-16(21)19-14-9-7-13(17)8-10-14/h2-11,15,20H,1H3,(H2,18,19,21)/t11-,15+/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea?
1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea has a molecular weight of 320.85 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]thiourea is sourced from PubChem (CID 40648030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).