1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea

C16H17ClN2OS — CID 17283684

IUPAC1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1cc(Cl)ccc1C
InChIInChI=1S/C16H17ClN2OS/c1-10-4-7-15(20-3)14(8-10)19-16(21)18-13-9-12(17)6-5-11(13)2/h4-9H,1-3H3,(H2,18,19,21)
InChIKeyQXRYQDASGWBOHS-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.77
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea

1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea (PubChem CID 17283684) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
PubChem CID17283684
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
SMILESCOc1ccc(C)cc1NC(=S)Nc1cc(Cl)ccc1C
InChIInChI=1S/C16H17ClN2OS/c1-10-4-7-15(20-3)14(8-10)19-16(21)18-13-9-12(17)6-5-11(13)2/h4-9H,1-3H3,(H2,18,19,21)
InChIKeyQXRYQDASGWBOHS-UHFFFAOYSA-N
XLogP4.77
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.77
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-N'-(5-chloro-2-methylphenyl)-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982691
1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489208
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
1-(2,3-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 971408
1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924090
1-(3-chloro-2-fluorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 53488642
1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
1-(5-chloro-2-methylphenyl)-3-methylthiourea
CID 2252731
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
1-(5-chloro-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]thiourea
CID 17297940
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-[4-(4-chloro-2-methylphenoxy)butanoylamino]-3-(2-methoxy-5-methylphenyl)thiourea
CID 17371485

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea (CID 17283684) is 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea is COc1ccc(C)cc1NC(=S)Nc1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea?
The InChIKey is QXRYQDASGWBOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-10-4-7-15(20-3)14(8-10)19-16(21)18-13-9-12(17)6-5-11(13)2/h4-9H,1-3H3,(H2,18,19,21).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea?
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea has a molecular weight of 320.85 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea is sourced from PubChem (CID 17283684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).