1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea

C19H23ClN2OS — CID 9096658

IUPAC1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea
SMILESCOc1ccc([C@@H](NC(=S)Nc2cccc(Cl)c2C)C(C)C)cc1
InChIInChI=1S/C19H23ClN2OS/c1-12(2)18(14-8-10-15(23-4)11-9-14)22-19(24)21-17-7-5-6-16(20)13(17)3/h5-12,18H,1-4H3,(H2,21,22,24)/t18-/m0/s1
InChIKeyLARNIOFWBYXCOV-SFHVURJKSA-N
MW362.93 g/mol
LogP5.34
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea

1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea (PubChem CID 9096658) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea
PubChem CID9096658
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea
SMILESCOc1ccc([C@@H](NC(=S)Nc2cccc(Cl)c2C)C(C)C)cc1
InChIInChI=1S/C19H23ClN2OS/c1-12(2)18(14-8-10-15(23-4)11-9-14)22-19(24)21-17-7-5-6-16(20)13(17)3/h5-12,18H,1-4H3,(H2,21,22,24)/t18-/m0/s1
InChIKeyLARNIOFWBYXCOV-SFHVURJKSA-N
XLogP5.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(3,3-dimethylbutan-2-yl)thiourea
CID 3753284
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8656271
N-[(3-chloro-2-methylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 833416
1-(2-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693807
1-(3-chloro-2-methylphenyl)-3-[(2R)-pentan-2-yl]thiourea
CID 8618280
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-(3-chlorophenyl)ethyl]thiourea
CID 8676120
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)carbamothioylamino]thiourea
CID 8658991
1-(3-chloro-2-methylphenyl)-3-methylthiourea
CID 976431
1-(3-chloro-2-methylphenyl)-3-[(2R)-heptan-2-yl]thiourea
CID 8007946
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(3-chloro-2-methylphenyl)thiourea
CID 8677480
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
1-(4-butan-2-ylphenyl)-3-(3-chloro-2-methylphenyl)thiourea
CID 4036004

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea (CID 9096658) is 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea is COc1ccc([C@@H](NC(=S)Nc2cccc(Cl)c2C)C(C)C)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea?
The InChIKey is LARNIOFWBYXCOV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-12(2)18(14-8-10-15(23-4)11-9-14)22-19(24)21-17-7-5-6-16(20)13(17)3/h5-12,18H,1-4H3,(H2,21,22,24)/t18-/m0/s1.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea?
1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea has a molecular weight of 362.93 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]thiourea is sourced from PubChem (CID 9096658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).