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

C16H18N6S — CID 134128193

IUPAC5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole
SMILESCC1=CC=CC2N=C(CCc3nc(-c4cncs4)cn3C)NN12
InChIInChI=1S/C16H18N6S/c1-11-4-3-5-16-19-14(20-22(11)16)6-7-15-18-12(9-21(15)2)13-8-17-10-23-13/h3-5,8-10,16H,6-7H2,1-2H3,(H,19,20)
InChIKeyDNEVTTNBGLURFD-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.49
Rot. Bonds4

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

5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole (PubChem CID 134128193) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole
PubChem CID134128193
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole
SMILESCC1=CC=CC2N=C(CCc3nc(-c4cncs4)cn3C)NN12
InChIInChI=1S/C16H18N6S/c1-11-4-3-5-16-19-14(20-22(11)16)6-7-15-18-12(9-21(15)2)13-8-17-10-23-13/h3-5,8-10,16H,6-7H2,1-2H3,(H,19,20)
InChIKeyDNEVTTNBGLURFD-UHFFFAOYSA-N
XLogP2.49
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole?
The IUPAC name of 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole (CID 134128193) is 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole is CC1=CC=CC2N=C(CCc3nc(-c4cncs4)cn3C)NN12.
What is the InChIKey of 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole?
The InChIKey is DNEVTTNBGLURFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-4-3-5-16-19-14(20-22(11)16)6-7-15-18-12(9-21(15)2)13-8-17-10-23-13/h3-5,8-10,16H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole?
5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-2-[2-(5-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134128193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).