N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide

C18H16N4O2S — CID 7530944

IUPACN-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide
SMILESCc1ccccc1-c1nc2scc(CCNC(=O)c3ccco3)n2n1
InChIInChI=1S/C18H16N4O2S/c1-12-5-2-3-6-14(12)16-20-18-22(21-16)13(11-25-18)8-9-19-17(23)15-7-4-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,19,23)
InChIKeyQVNKCKCPTZSRGX-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.33
Rot. Bonds5

About N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide

N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide (PubChem CID 7530944) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide
PubChem CID7530944
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide
SMILESCc1ccccc1-c1nc2scc(CCNC(=O)c3ccco3)n2n1
InChIInChI=1S/C18H16N4O2S/c1-12-5-2-3-6-14(12)16-20-18-22(21-16)13(11-25-18)8-9-19-17(23)15-7-4-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,19,23)
InChIKeyQVNKCKCPTZSRGX-UHFFFAOYSA-N
XLogP3.33
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide (CID 7530944) is N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide is Cc1ccccc1-c1nc2scc(CCNC(=O)c3ccco3)n2n1.
What is the InChIKey of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide?
The InChIKey is QVNKCKCPTZSRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12-5-2-3-6-14(12)16-20-18-22(21-16)13(11-25-18)8-9-19-17(23)15-7-4-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,19,23).
What are the key properties of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide?
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7530944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).