1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea

C15H13Cl2N3O2S — CID 1044250

IUPAC1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O2S/c1-22-13-5-3-2-4-12(13)18-15(23)20-19-14(21)10-7-6-9(16)8-11(10)17/h2-8H,1H3,(H,19,21)(H2,18,20,23)
InChIKeyXPVZHELBNLUZEF-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.63
Rot. Bonds3

About 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea

1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea (PubChem CID 1044250) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
PubChem CID1044250
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O2S/c1-22-13-5-3-2-4-12(13)18-15(23)20-19-14(21)10-7-6-9(16)8-11(10)17/h2-8H,1H3,(H,19,21)(H2,18,20,23)
InChIKeyXPVZHELBNLUZEF-UHFFFAOYSA-N
XLogP3.63
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.63
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea (CID 1044250) is 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is XPVZHELBNLUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-22-13-5-3-2-4-12(13)18-15(23)20-19-14(21)10-7-6-9(16)8-11(10)17/h2-8H,1H3,(H,19,21)(H2,18,20,23).
What are the key properties of 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea?
1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 370.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorobenzoyl)amino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 1044250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).