1-benzamido-3-(2-methoxyphenyl)thiourea

C15H15N3O2S — CID 899575

IUPAC1-benzamido-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)16-15(21)18-17-14(19)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKeyDZDRFPGBHOXFJT-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.33
Rot. Bonds3

About 1-benzamido-3-(2-methoxyphenyl)thiourea

1-benzamido-3-(2-methoxyphenyl)thiourea (PubChem CID 899575) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-benzamido-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-benzamido-3-(2-methoxyphenyl)thiourea
PubChem CID899575
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-benzamido-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)16-15(21)18-17-14(19)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21)
InChIKeyDZDRFPGBHOXFJT-UHFFFAOYSA-N
XLogP2.33
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 2306768
4-amino-N-(2-methoxyphenyl)benzamide
CID 2317363
2-Iodo-2'-methoxybenzanilide
CID 615893
N-phenyl-2-{3-[4-(propan-2-yloxy)phenyl]propanoyl}hydrazinecarbothioamide
CID 1970570
2-(2-Methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 700995
2-(2,4-dichlorobenzoyl)-N-(2-methoxyphenyl)hydrazinecarbothioamide
CID 1044250
1-[[(2-Chlorophenyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea
CID 978041
1-[(2-Hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea
CID 143729330
N-{[(3-Methoxyphenyl)imino](sulfanyl)methyl}benzenecarboximidic acid
CID 696323
2-(4-methoxybenzoyl)-N-(4-methylphenyl)hydrazinecarboxamide
CID 841363
2-benzoyl-2-tert-butyl-N-(4-methoxyphenyl)hydrazinecarboxamide
CID 848607
1-Phenyl-3-[[2-(4-propan-2-yloxyphenyl)acetyl]amino]thiourea
CID 950308

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-benzamido-3-(2-methoxyphenyl)thiourea (CID 899575) is 1-benzamido-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-benzamido-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-benzamido-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)NNC(=O)c1ccccc1.
What is the InChIKey of 1-benzamido-3-(2-methoxyphenyl)thiourea?
The InChIKey is DZDRFPGBHOXFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)16-15(21)18-17-14(19)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21).
What are the key properties of 1-benzamido-3-(2-methoxyphenyl)thiourea?
1-benzamido-3-(2-methoxyphenyl)thiourea has a molecular weight of 301.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 899575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).