5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide

C23H17Cl2N5O3S — CID 17176944

IUPAC5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide
SMILESCCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)c3)nn12
InChIInChI=1S/C23H17Cl2N5O3S/c1-3-20-27-28-23-30(20)29-22(34-23)13-5-7-18(32-2)16(11-13)26-21(31)19-9-8-17(33-19)12-4-6-14(24)15(25)10-12/h4-11H,3H2,1-2H3,(H,26,31)
InChIKeyKILBQRQZQIHWQE-UHFFFAOYSA-N
MW514.39 g/mol
LogP6.24
Rot. Bonds6

About 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide

5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 17176944) has the molecular formula C23H17Cl2N5O3S and a molecular weight of 514.39 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide
PubChem CID17176944
Molecular FormulaC23H17Cl2N5O3S
Molecular Weight514.39 g/mol
Exact Mass513.04
IUPAC Name5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide
SMILESCCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)c3)nn12
InChIInChI=1S/C23H17Cl2N5O3S/c1-3-20-27-28-23-30(20)29-22(34-23)13-5-7-18(32-2)16(11-13)26-21(31)19-9-8-17(33-19)12-4-6-14(24)15(25)10-12/h4-11H,3H2,1-2H3,(H,26,31)
InChIKeyKILBQRQZQIHWQE-UHFFFAOYSA-N
XLogP6.24
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.39
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-(3,4-dichlorophenyl)-N-[2-methoxy-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]furan-2-carboxamide
CID 17078857
5-bromo-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide
CID 17176890
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]benzamide
CID 17176810
3-chloro-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]benzamide
CID 17176825
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]propanamide
CID 17176872
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]-2,2,2-trifluoroacetamide
CID 17176879
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]-2-methylpropanamide
CID 17176877
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 17176814
2-bromo-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]benzamide
CID 17176822
(2R)-2-(2,4-dichlorophenoxy)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]propanamide
CID 41316301
6-(3,4-dichlorophenyl)-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840527
5-(3-chlorophenyl)-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]furan-2-carboxamide
CID 17018517

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide (CID 17176944) is 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide is CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)c3)nn12.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is KILBQRQZQIHWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N5O3S/c1-3-20-27-28-23-30(20)29-22(34-23)13-5-7-18(32-2)16(11-13)26-21(31)19-9-8-17(33-19)12-4-6-14(24)15(25)10-12/h4-11H,3H2,1-2H3,(H,26,31).
What are the key properties of 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide?
5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 514.39 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 17176944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).