1-(4-methoxyanilino)-3-phenylthiourea

C14H15N3OS — CID 14147208

IUPAC1-(4-methoxyanilino)-3-phenylthiourea
SMILESCOc1ccc(NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C14H15N3OS/c1-18-13-9-7-12(8-10-13)16-17-14(19)15-11-5-3-2-4-6-11/h2-10,16H,1H3,(H2,15,17,19)
InChIKeyAITUWCPJLZZCEC-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-methoxyanilino)-3-phenylthiourea

1-(4-methoxyanilino)-3-phenylthiourea (PubChem CID 14147208) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(4-methoxyanilino)-3-phenylthiourea.

Molecular Properties

Compound Name1-(4-methoxyanilino)-3-phenylthiourea
PubChem CID14147208
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(4-methoxyanilino)-3-phenylthiourea
SMILESCOc1ccc(NNC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C14H15N3OS/c1-18-13-9-7-12(8-10-13)16-17-14(19)15-11-5-3-2-4-6-11/h2-10,16H,1H3,(H2,15,17,19)
InChIKeyAITUWCPJLZZCEC-UHFFFAOYSA-N
XLogP3.01
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_D(8)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloroanilino)-3-(4-methoxyphenyl)thiourea
CID 8619679
1-(4-methylanilino)-3-phenylthiourea
CID 3293751
1-anilino-3-[(4-methoxyphenyl)methyl]thiourea
CID 4850556
1-[(4-methoxyphenyl)methyl]-3-(phenylcarbamothioylamino)thiourea
CID 8618425
4-methoxy-N-(phenylcarbamothioyl)benzenecarbothioamide
CID 12778974
1-anilino-3-(7,8-dimethoxyphenazin-2-yl)thiourea
CID 126000432
1-(2-fluorophenyl)-3-[(4-methoxyphenyl)carbamothioylamino]thiourea
CID 8618338
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
1-(4-methylsulfonylanilino)-3-phenylthiourea
CID 71897108
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
1-anilino-3-(3-methylphenyl)thiourea
CID 8619974
N-[4-[(4-methoxyphenyl)carbamothioylamino]anilino]formamide
CID 21427843

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyanilino)-3-phenylthiourea?
The IUPAC name of 1-(4-methoxyanilino)-3-phenylthiourea (CID 14147208) is 1-(4-methoxyanilino)-3-phenylthiourea.
What is the SMILES notation for 1-(4-methoxyanilino)-3-phenylthiourea?
The canonical SMILES for 1-(4-methoxyanilino)-3-phenylthiourea is COc1ccc(NNC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyanilino)-3-phenylthiourea?
The InChIKey is AITUWCPJLZZCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-18-13-9-7-12(8-10-13)16-17-14(19)15-11-5-3-2-4-6-11/h2-10,16H,1H3,(H2,15,17,19).
What are the key properties of 1-(4-methoxyanilino)-3-phenylthiourea?
1-(4-methoxyanilino)-3-phenylthiourea has a molecular weight of 273.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyanilino)-3-phenylthiourea is sourced from PubChem (CID 14147208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).