2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

C16H17N7S — CID 53250649

IUPAC2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1cnc(C)n2nc(CCc3nc(-c4nccs4)cn3C)nc12
InChIInChI=1S/C16H17N7S/c1-10-8-18-11(2)23-15(10)20-13(21-23)4-5-14-19-12(9-22(14)3)16-17-6-7-24-16/h6-9H,4-5H2,1-3H3
InChIKeyUBWMLYCWZUTZSU-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole

2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 53250649) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID53250649
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCc1cnc(C)n2nc(CCc3nc(-c4nccs4)cn3C)nc12
InChIInChI=1S/C16H17N7S/c1-10-8-18-11(2)23-15(10)20-13(21-23)4-5-14-19-12(9-22(14)3)16-17-6-7-24-16/h6-9H,4-5H2,1-3H3
InChIKeyUBWMLYCWZUTZSU-UHFFFAOYSA-N
XLogP2.38
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 53250649) is 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is Cc1cnc(C)n2nc(CCc3nc(-c4nccs4)cn3C)nc12.
What is the InChIKey of 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is UBWMLYCWZUTZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-10-8-18-11(2)23-15(10)20-13(21-23)4-5-14-19-12(9-22(14)3)16-17-6-7-24-16/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 339.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 53250649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).