N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C11H14N6S — CID 72895620

IUPACN-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)Cc3ncc[nH]3)sc12
InChIInChI=1S/C11H14N6S/c1-7-9-10(17(3)15-7)14-11(18-9)16(2)6-8-12-4-5-13-8/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyDGWHKNQKALBNRH-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.70
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72895620) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72895620
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)Cc3ncc[nH]3)sc12
InChIInChI=1S/C11H14N6S/c1-7-9-10(17(3)15-7)14-11(18-9)16(2)6-8-12-4-5-13-8/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyDGWHKNQKALBNRH-UHFFFAOYSA-N
XLogP1.70
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72895620) is N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(C)Cc3ncc[nH]3)sc12.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is DGWHKNQKALBNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-7-9-10(17(3)15-7)14-11(18-9)16(2)6-8-12-4-5-13-8/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 262.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72895620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).