5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole

C19H20N6OS — CID 134128198

IUPAC5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole
SMILESC#CCn1cc(-c2cncs2)nc1CCC1=NC2C(OC)=CC=C(C)N2N1
InChIInChI=1S/C19H20N6OS/c1-4-9-24-11-14(16-10-20-12-27-16)21-18(24)8-7-17-22-19-15(26-3)6-5-13(2)25(19)23-17/h1,5-6,10-12,19H,7-9H2,2-3H3,(H,22,23)
InChIKeyCCDATKHIJBEXOS-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.56
Rot. Bonds6

About 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole

5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole (PubChem CID 134128198) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole
PubChem CID134128198
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole
SMILESC#CCn1cc(-c2cncs2)nc1CCC1=NC2C(OC)=CC=C(C)N2N1
InChIInChI=1S/C19H20N6OS/c1-4-9-24-11-14(16-10-20-12-27-16)21-18(24)8-7-17-22-19-15(26-3)6-5-13(2)25(19)23-17/h1,5-6,10-12,19H,7-9H2,2-3H3,(H,22,23)
InChIKeyCCDATKHIJBEXOS-UHFFFAOYSA-N
XLogP2.56
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole (CID 134128198) is 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole is C#CCn1cc(-c2cncs2)nc1CCC1=NC2C(OC)=CC=C(C)N2N1.
What is the InChIKey of 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole?
The InChIKey is CCDATKHIJBEXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-4-9-24-11-14(16-10-20-12-27-16)21-18(24)8-7-17-22-19-15(26-3)6-5-13(2)25(19)23-17/h1,5-6,10-12,19H,7-9H2,2-3H3,(H,22,23).
What are the key properties of 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole?
5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole has a molecular weight of 380.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(8-methoxy-5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1-prop-2-ynylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134128198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).