1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea

C16H15Cl2N3OS — CID 3441173

IUPAC1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NN=C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3OS/c1-10(11-7-8-12(17)13(18)9-11)20-21-16(23)19-14-5-3-4-6-15(14)22-2/h3-9H,1-2H3,(H2,19,21,23)
InChIKeyHHQOIBIOLWUUQD-UHFFFAOYSA-N
MW368.29 g/mol
LogP4.71
Rot. Bonds4

About 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea

1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea (PubChem CID 3441173) has the molecular formula C16H15Cl2N3OS and a molecular weight of 368.29 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
PubChem CID3441173
Molecular FormulaC16H15Cl2N3OS
Molecular Weight368.29 g/mol
Exact Mass367.03
IUPAC Name1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
SMILESCOc1ccccc1NC(=S)NN=C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3OS/c1-10(11-7-8-12(17)13(18)9-11)20-21-16(23)19-14-5-3-4-6-15(14)22-2/h3-9H,1-2H3,(H2,19,21,23)
InChIKeyHHQOIBIOLWUUQD-UHFFFAOYSA-N
XLogP4.71
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(2-methoxyphenyl)-3-[1-(4-phenylphenyl)ethylideneamino]thiourea
CID 4083793
1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(2-methoxyphenyl)thiourea
CID 7933948
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 3430599
1-[2,5-dichloro-4-[(2-methoxyphenyl)carbamothioylamino]phenyl]-3-(2-methoxyphenyl)thiourea
CID 1252379
3,4-dichloro-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 4131490
1-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175980
1-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 6903336
1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
CID 7407265
1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
CID 7933632
1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
CID 135443528
[2-methoxy-4-[N-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 4168814
1-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-3-(3-trimethylsilylpropyl)thiourea
CID 177402804

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea (CID 3441173) is 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea is COc1ccccc1NC(=S)NN=C(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is HHQOIBIOLWUUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3OS/c1-10(11-7-8-12(17)13(18)9-11)20-21-16(23)19-14-5-3-4-6-15(14)22-2/h3-9H,1-2H3,(H2,19,21,23).
What are the key properties of 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea?
1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 368.29 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)ethylideneamino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 3441173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).