1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C11H15N7S — CID 72843484

IUPAC1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nc(C(C)Nc2nc3c(s2)c(C)nn3C)n[nH]1
InChIInChI=1S/C11H15N7S/c1-5-8-10(18(4)17-5)14-11(19-8)12-6(2)9-13-7(3)15-16-9/h6H,1-4H3,(H,12,14)(H,13,15,16)
InChIKeyKLINHGTXYFZEFY-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.94
Rot. Bonds3

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

1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72843484) has the molecular formula C11H15N7S and a molecular weight of 277.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72843484
Molecular FormulaC11H15N7S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nc(C(C)Nc2nc3c(s2)c(C)nn3C)n[nH]1
InChIInChI=1S/C11H15N7S/c1-5-8-10(18(4)17-5)14-11(19-8)12-6(2)9-13-7(3)15-16-9/h6H,1-4H3,(H,12,14)(H,13,15,16)
InChIKeyKLINHGTXYFZEFY-UHFFFAOYSA-N
XLogP1.94
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72843484) is 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nc(C(C)Nc2nc3c(s2)c(C)nn3C)n[nH]1.
What is the InChIKey of 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is KLINHGTXYFZEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7S/c1-5-8-10(18(4)17-5)14-11(19-8)12-6(2)9-13-7(3)15-16-9/h6H,1-4H3,(H,12,14)(H,13,15,16).
What are the key properties of 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 277.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72843484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).