1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea

C15H16N2OS — CID 115587806

IUPAC1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea
SMILESCOc1ccccc1N(C)C(=S)Nc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-17(13-10-6-7-11-14(13)18-2)15(19)16-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,16,19)
InChIKeyKDKFUVZAUBQATB-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea

1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea (PubChem CID 115587806) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea
PubChem CID115587806
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea
SMILESCOc1ccccc1N(C)C(=S)Nc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-17(13-10-6-7-11-14(13)18-2)15(19)16-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,16,19)
InChIKeyKDKFUVZAUBQATB-UHFFFAOYSA-N
XLogP3.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.53
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-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176
2-(2-methoxy-N-methylanilino)-N-phenylacetamide
CID 47280952
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 62483741
2-hydroxy-1-(2-methoxyphenyl)-1-methylguanidine
CID 76944433
3-(3-aminophenyl)-1-(2-methoxyphenyl)-1-methylurea
CID 62003425
2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid
CID 62002291
1-(dimethylamino)-1,3-diphenylthiourea
CID 174700414
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
N-iodo-2-methoxy-N-methylaniline
CID 153134478
2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 154843476
(2S)-2-amino-N-(2-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 104897769
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea?
The IUPAC name of 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea (CID 115587806) is 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea is COc1ccccc1N(C)C(=S)Nc1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea?
The InChIKey is KDKFUVZAUBQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17(13-10-6-7-11-14(13)18-2)15(19)16-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,16,19).
What are the key properties of 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea?
1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea has a molecular weight of 272.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-methyl-3-phenylthiourea is sourced from PubChem (CID 115587806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).