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

C16H19N7S — CID 134128208

IUPAC2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCC1=CN=C(C)N2NC(CCc3nc(-c4nccs4)cn3C)=NC12
InChIInChI=1S/C16H19N7S/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/h6-9,15H,4-5H2,1-3H3,(H,20,21)
InChIKeyTUBCOKOYGOZIDI-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.36
Rot. Bonds4

About 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-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-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (PubChem CID 134128208) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[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-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
PubChem CID134128208
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
SMILESCC1=CN=C(C)N2NC(CCc3nc(-c4nccs4)cn3C)=NC12
InChIInChI=1S/C16H19N7S/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/h6-9,15H,4-5H2,1-3H3,(H,20,21)
InChIKeyTUBCOKOYGOZIDI-UHFFFAOYSA-N
XLogP2.36
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-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-c]pyrimidin-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-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole (CID 134128208) is 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[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-3,8a-dihydro-[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-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is CC1=CN=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-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole?
The InChIKey is TUBCOKOYGOZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/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/h6-9,15H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-[2-(5,8-dimethyl-3,8a-dihydro-[1,2,4]triazolo[1,5-c]pyrimidin-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-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole has a molecular weight of 341.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134128208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).