2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole

C16H17N7S — CID 11416499

IUPAC2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCCc1c(Cn2ccnc2-c2nccs2)ncn2nc(C)nc12
InChIInChI=1S/C16H17N7S/c1-3-4-12-13(19-10-23-14(12)20-11(2)21-23)9-22-7-5-17-15(22)16-18-6-8-24-16/h5-8,10H,3-4,9H2,1-2H3
InChIKeyUUIOMTRXMKJVRQ-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.75
Rot. Bonds5

About 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole

2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole (PubChem CID 11416499) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole
PubChem CID11416499
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole
SMILESCCCc1c(Cn2ccnc2-c2nccs2)ncn2nc(C)nc12
InChIInChI=1S/C16H17N7S/c1-3-4-12-13(19-10-23-14(12)20-11(2)21-23)9-22-7-5-17-15(22)16-18-6-8-24-16/h5-8,10H,3-4,9H2,1-2H3
InChIKeyUUIOMTRXMKJVRQ-UHFFFAOYSA-N
XLogP2.75
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole (CID 11416499) is 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole is CCCc1c(Cn2ccnc2-c2nccs2)ncn2nc(C)nc12.
What is the InChIKey of 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole?
The InChIKey is UUIOMTRXMKJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-3-4-12-13(19-10-23-14(12)20-11(2)21-23)9-22-7-5-17-15(22)16-18-6-8-24-16/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole?
2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole has a molecular weight of 339.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 11416499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).