N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

C16H14Cl2N2OS2 — CID 23911708

IUPACN-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2cccs2)cs/c1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2OS2/c1-21-7-6-20-14(15-3-2-8-22-15)10-23-16(20)19-11-4-5-12(17)13(18)9-11/h2-5,8-10H,6-7H2,1H3/b19-16-
InChIKeyREQFCZLAAQCVAS-MNDPQUGUSA-N
MW385.34 g/mol
LogP5.46
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23911708) has the molecular formula C16H14Cl2N2OS2 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23911708
Molecular FormulaC16H14Cl2N2OS2
Molecular Weight385.34 g/mol
Exact Mass383.99
IUPAC NameN-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCOCCn1c(-c2cccs2)cs/c1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2OS2/c1-21-7-6-20-14(15-3-2-8-22-15)10-23-16(20)19-11-4-5-12(17)13(18)9-11/h2-5,8-10H,6-7H2,1H3/b19-16-
InChIKeyREQFCZLAAQCVAS-MNDPQUGUSA-N
XLogP5.46
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.34
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23904895
3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23735643
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740492
3-butyl-N-(4-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23762274
3-benzyl-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine;hydrobromide
CID 56726121
N-(3-methylphenyl)-3-(2-pyridin-2-ylethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23790168
N-(3,5-dimethylphenyl)-4-(furan-2-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 23799456
4-[[2-(3,4-dichlorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135666184
N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine
CID 23989805
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
N-(4-ethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 7614906
N-(3,4-dichlorophenyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23795166

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23911708) is N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is COCCn1c(-c2cccs2)cs/c1=N\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is REQFCZLAAQCVAS-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS2/c1-21-7-6-20-14(15-3-2-8-22-15)10-23-16(20)19-11-4-5-12(17)13(18)9-11/h2-5,8-10H,6-7H2,1H3/b19-16-.
What are the key properties of N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 385.34 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23911708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).