4-methoxy-N-(4-methylphenyl)benzenecarbothioamide

C15H15NOS — CID 886291

IUPAC4-methoxy-N-(4-methylphenyl)benzenecarbothioamide
SMILESCOc1ccc(C(=S)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NOS/c1-11-3-7-13(8-4-11)16-15(18)12-5-9-14(17-2)10-6-12/h3-10H,1-2H3,(H,16,18)
InChIKeyIWVCEMRFDGIEMT-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.79
Rot. Bonds3

About 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide

4-methoxy-N-(4-methylphenyl)benzenecarbothioamide (PubChem CID 886291) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylphenyl)benzenecarbothioamide
PubChem CID886291
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name4-methoxy-N-(4-methylphenyl)benzenecarbothioamide
SMILESCOc1ccc(C(=S)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C15H15NOS/c1-11-3-7-13(8-4-11)16-15(18)12-5-9-14(17-2)10-6-12/h3-10H,1-2H3,(H,16,18)
InChIKeyIWVCEMRFDGIEMT-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.79
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

N-(4-methoxybenzyl)-N'-phenylthiourea
CID 773303
N-Benzyl-4-methoxyaniline
CID 519413
4-Amino-4'-methoxystilbene
CID 5376491
N-(4-Methoxybenzyl)aniline
CID 408377
2-Mercapto-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
CID 733110
(4-Methoxy-phenyl)-phenylamino-acetonitrile
CID 291032
Benzenecarbothioamide, N-(4-methoxyphenyl)-
CID 805406
(3,4-Dimethyl-phenyl)-(4-methoxy-benzyl)-amine
CID 775241
1-(3-Fluorophenyl)-3-(4-methoxybenzyl)thiourea
CID 805681
7-Methoxy-4-phenylquinoline-2-thiol
CID 1277258
N-[4-(dimethylamino)phenyl]-4-methoxybenzenecarbothioamide
CID 749908
1-[2-(4-Methoxyphenyl)ethyl]-3-(3-methylphenyl)thiourea
CID 882820

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide?
The IUPAC name of 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide (CID 886291) is 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide.
What is the SMILES notation for 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide?
The canonical SMILES for 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide is COc1ccc(C(=S)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide?
The InChIKey is IWVCEMRFDGIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-3-7-13(8-4-11)16-15(18)12-5-9-14(17-2)10-6-12/h3-10H,1-2H3,(H,16,18).
What are the key properties of 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide?
4-methoxy-N-(4-methylphenyl)benzenecarbothioamide has a molecular weight of 257.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylphenyl)benzenecarbothioamide is sourced from PubChem (CID 886291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).