5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

C14H14N8S — CID 70688896

IUPAC5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1cn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2s1
InChIInChI=1S/C14H14N8S/c1-7-4-21-5-9(16-14(21)23-7)6-22-13-10(19-20-22)11(15)17-12(18-13)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H2,15,17,18)
InChIKeyOOHZPKNPQSNQRC-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.75
Rot. Bonds3

About 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70688896) has the molecular formula C14H14N8S and a molecular weight of 326.39 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70688896
Molecular FormulaC14H14N8S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1cn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2s1
InChIInChI=1S/C14H14N8S/c1-7-4-21-5-9(16-14(21)23-7)6-22-13-10(19-20-22)11(15)17-12(18-13)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H2,15,17,18)
InChIKeyOOHZPKNPQSNQRC-UHFFFAOYSA-N
XLogP1.75
TPSA99.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70688896) is 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is Cc1cn2cc(Cn3nnc4c(N)nc(C5CC5)nc43)nc2s1.
What is the InChIKey of 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is OOHZPKNPQSNQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8S/c1-7-4-21-5-9(16-14(21)23-7)6-22-13-10(19-20-22)11(15)17-12(18-13)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H2,15,17,18).
What are the key properties of 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 326.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70688896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).