1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea

C14H13Cl2N3OS — CID 141371897

IUPAC1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea
SMILESCOc1ccccc1NN(C(N)=S)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3OS/c1-20-13-5-3-2-4-11(13)18-19(14(17)21)12-7-6-9(15)8-10(12)16/h2-8,18H,1H3,(H2,17,21)
InChIKeyWCJRVABMEJYJKO-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.08
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea

1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea (PubChem CID 141371897) has the molecular formula C14H13Cl2N3OS and a molecular weight of 342.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea
PubChem CID141371897
Molecular FormulaC14H13Cl2N3OS
Molecular Weight342.25 g/mol
Exact Mass341.02
IUPAC Name1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea
SMILESCOc1ccccc1NN(C(N)=S)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3OS/c1-20-13-5-3-2-4-11(13)18-19(14(17)21)12-7-6-9(15)8-10(12)16/h2-8,18H,1H3,(H2,17,21)
InChIKeyWCJRVABMEJYJKO-UHFFFAOYSA-N
XLogP4.08
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.08
H-Bond Donors ≤ 52
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-chloro-4-(2-methoxyanilino)benzenecarbothioamide
CID 55154327
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111024815
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 2628202
(E)-1-(2,4-dichlorophenyl)-3-(2-methoxyanilino)prop-2-en-1-one
CID 126182433
4-chloro-2-methoxybenzamide
CID 19741766
5-chloro-N-(2-chlorophenyl)-2-methoxyaniline
CID 82536966
5-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 62493688
N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyanilino)acetamide
CID 9345203
1-(3-chlorophenyl)-3-(2-methoxyphenyl)thiourea
CID 976876

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea (CID 141371897) is 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea is COc1ccccc1NN(C(N)=S)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea?
The InChIKey is WCJRVABMEJYJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3OS/c1-20-13-5-3-2-4-11(13)18-19(14(17)21)12-7-6-9(15)8-10(12)16/h2-8,18H,1H3,(H2,17,21).
What are the key properties of 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea?
1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea has a molecular weight of 342.25 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-1-(2-methoxyanilino)thiourea is sourced from PubChem (CID 141371897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).