4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine

C17H14Cl2N4S — CID 2448029

IUPAC4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1N=Cc1cccnc1
InChIInChI=1S/C17H14Cl2N4S/c1-2-21-17-23(22-10-12-4-3-7-20-9-12)16(11-24-17)13-5-6-14(18)15(19)8-13/h3-11H,2H2,1H3/b21-17-,22-10?
InChIKeyBUYDMIQBDBKKQQ-GVHRMLRVSA-N
MW377.30 g/mol
LogP4.72
Rot. Bonds4

About 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine

4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2448029) has the molecular formula C17H14Cl2N4S and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2448029
Molecular FormulaC17H14Cl2N4S
Molecular Weight377.30 g/mol
Exact Mass376.03
IUPAC Name4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1N=Cc1cccnc1
InChIInChI=1S/C17H14Cl2N4S/c1-2-21-17-23(22-10-12-4-3-7-20-9-12)16(11-24-17)13-5-6-14(18)15(19)8-13/h3-11H,2H2,1H3/b21-17-,22-10?
InChIKeyBUYDMIQBDBKKQQ-GVHRMLRVSA-N
XLogP4.72
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2448029) is 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1N=Cc1cccnc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is BUYDMIQBDBKKQQ-GVHRMLRVSA-N. The full InChI is InChI=1S/C17H14Cl2N4S/c1-2-21-17-23(22-10-12-4-3-7-20-9-12)16(11-24-17)13-5-6-14(18)15(19)8-13/h3-11H,2H2,1H3/b21-17-,22-10?.
What are the key properties of 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine?
4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 377.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2448029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).