1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea

C17H19ClN2OS — CID 8565188

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea
SMILESCOc1ccc(Cl)cc1CN(C)C(=S)Nc1ccccc1C
InChIInChI=1S/C17H19ClN2OS/c1-12-6-4-5-7-15(12)19-17(22)20(2)11-13-10-14(18)8-9-16(13)21-3/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyPYQZCMSRVVVEOJ-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.49
Rot. Bonds4

About 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea

1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea (PubChem CID 8565188) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea
PubChem CID8565188
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea
SMILESCOc1ccc(Cl)cc1CN(C)C(=S)Nc1ccccc1C
InChIInChI=1S/C17H19ClN2OS/c1-12-6-4-5-7-15(12)19-17(22)20(2)11-13-10-14(18)8-9-16(13)21-3/h4-10H,11H2,1-3H3,(H,19,22)
InChIKeyPYQZCMSRVVVEOJ-UHFFFAOYSA-N
XLogP4.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-fluorophenyl)-1-methylthiourea
CID 8565189
1-[(5-chloro-2-methoxyphenyl)methyl]-3-ethyl-1-methylthiourea
CID 8565165
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methyl-3-(2-methylphenyl)thiourea
CID 8682630
1-benzyl-3-(5-chloro-2-methylphenyl)-1-methylthiourea
CID 127514505
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905
1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea
CID 8682696
3-(3-chloro-2-methylphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-methylthiourea
CID 8786787
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
3-(2,3-dimethylphenyl)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylthiourea
CID 8680216
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea (CID 8565188) is 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea is COc1ccc(Cl)cc1CN(C)C(=S)Nc1ccccc1C.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea?
The InChIKey is PYQZCMSRVVVEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-12-6-4-5-7-15(12)19-17(22)20(2)11-13-10-14(18)8-9-16(13)21-3/h4-10H,11H2,1-3H3,(H,19,22).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea?
1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea has a molecular weight of 334.87 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-1-methyl-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8565188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).