1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C14H20N6S — CID 72847151

IUPAC1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCc3cncn3CC(C)C)sc12
InChIInChI=1S/C14H20N6S/c1-9(2)7-20-8-15-5-11(20)6-16-14-17-13-12(21-14)10(3)18-19(13)4/h5,8-9H,6-7H2,1-4H3,(H,16,17)
InChIKeyHREICBXETDYGLT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.80
Rot. Bonds5

About 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72847151) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72847151
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCc3cncn3CC(C)C)sc12
InChIInChI=1S/C14H20N6S/c1-9(2)7-20-8-15-5-11(20)6-16-14-17-13-12(21-14)10(3)18-19(13)4/h5,8-9H,6-7H2,1-4H3,(H,16,17)
InChIKeyHREICBXETDYGLT-UHFFFAOYSA-N
XLogP2.80
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72847151) is 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCc3cncn3CC(C)C)sc12.
What is the InChIKey of 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is HREICBXETDYGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-9(2)7-20-8-15-5-11(20)6-16-14-17-13-12(21-14)10(3)18-19(13)4/h5,8-9H,6-7H2,1-4H3,(H,16,17).
What are the key properties of 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 304.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72847151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).