2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

C17H20N6S — CID 134128205

IUPAC2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCC1=CC=C(C)N2NC(CCc3nc(-c4nccs4)cn3C)=NC12
InChIInChI=1S/C17H20N6S/c1-11-4-5-12(2)23-16(11)20-14(21-23)6-7-15-19-13(10-22(15)3)17-18-8-9-24-17/h4-5,8-10,16H,6-7H2,1-3H3,(H,20,21)
InChIKeyNLSQREPFEOGCNO-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.88
Rot. Bonds4

About 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 134128205) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID134128205
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCC1=CC=C(C)N2NC(CCc3nc(-c4nccs4)cn3C)=NC12
InChIInChI=1S/C17H20N6S/c1-11-4-5-12(2)23-16(11)20-14(21-23)6-7-15-19-13(10-22(15)3)17-18-8-9-24-17/h4-5,8-10,16H,6-7H2,1-3H3,(H,20,21)
InChIKeyNLSQREPFEOGCNO-UHFFFAOYSA-N
XLogP2.88
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 134128205) is 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is CC1=CC=C(C)N2NC(CCc3nc(-c4nccs4)cn3C)=NC12.
What is the InChIKey of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is NLSQREPFEOGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-11-4-5-12(2)23-16(11)20-14(21-23)6-7-15-19-13(10-22(15)3)17-18-8-9-24-17/h4-5,8-10,16H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134128205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).