1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine

C12H16N6S — CID 72839680

IUPAC1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c(C)c1Nc1nc2c(s1)c(C)nn2C
InChIInChI=1S/C12H16N6S/c1-6-9(8(3)17(4)15-6)13-12-14-11-10(19-12)7(2)16-18(11)5/h1-5H3,(H,13,14)
InChIKeyMBKUPKFQYMOWKH-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.43
Rot. Bonds2

About 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72839680) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72839680
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c(C)c1Nc1nc2c(s1)c(C)nn2C
InChIInChI=1S/C12H16N6S/c1-6-9(8(3)17(4)15-6)13-12-14-11-10(19-12)7(2)16-18(11)5/h1-5H3,(H,13,14)
InChIKeyMBKUPKFQYMOWKH-UHFFFAOYSA-N
XLogP2.43
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.43
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-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72839680) is 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c(C)c1Nc1nc2c(s1)c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is MBKUPKFQYMOWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-6-9(8(3)17(4)15-6)13-12-14-11-10(19-12)7(2)16-18(11)5/h1-5H3,(H,13,14).
What are the key properties of 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 276.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72839680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).