(E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide

C15H12Cl2N4OS — CID 108751687

IUPAC(E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide
SMILESCc1sc2nc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)nn2c1C
InChIInChI=1S/C15H12Cl2N4OS/c1-8-9(2)23-15-19-14(20-21(8)15)18-13(22)6-4-10-3-5-11(16)12(17)7-10/h3-7H,1-2H3,(H,18,20,22)/b6-4+
InChIKeyARWOGSVMHOGVNZ-GQCTYLIASA-N
MW367.26 g/mol
LogP4.37
Rot. Bonds3

About (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide (PubChem CID 108751687) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide
PubChem CID108751687
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide
SMILESCc1sc2nc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)nn2c1C
InChIInChI=1S/C15H12Cl2N4OS/c1-8-9(2)23-15-19-14(20-21(8)15)18-13(22)6-4-10-3-5-11(16)12(17)7-10/h3-7H,1-2H3,(H,18,20,22)/b6-4+
InChIKeyARWOGSVMHOGVNZ-GQCTYLIASA-N
XLogP4.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108752388
3-(3,4-dichlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enamide
CID 896647
(E)-3-(3,4-dichlorophenyl)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]prop-2-enamide
CID 108752256
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
(E)-3-(3,4-dichlorophenyl)-N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]prop-2-enamide
CID 108768470
(E)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108764870
3-(3,4-dichlorophenyl)-N-(4,6-dimethylpyridin-1-ium-2-yl)prop-2-enamide
CID 4746135
3-(3,4-dichlorophenyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)prop-2-enamide
CID 1221544
3-(4-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108727655
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide (CID 108751687) is (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide is Cc1sc2nc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)nn2c1C.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide?
The InChIKey is ARWOGSVMHOGVNZ-GQCTYLIASA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-8-9(2)23-15-19-14(20-21(8)15)18-13(22)6-4-10-3-5-11(16)12(17)7-10/h3-7H,1-2H3,(H,18,20,22)/b6-4+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide has a molecular weight of 367.26 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide is sourced from PubChem (CID 108751687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).