N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

C11H13N5S2 — CID 72920681

IUPACN,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)Cc3nccs3)sc12
InChIInChI=1S/C11H13N5S2/c1-7-9-10(16(3)14-7)13-11(18-9)15(2)6-8-12-4-5-17-8/h4-5H,6H2,1-3H3
InChIKeyPUGKQSGUPLEQCE-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.43
Rot. Bonds3

About N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72920681) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72920681
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC NameN,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)Cc3nccs3)sc12
InChIInChI=1S/C11H13N5S2/c1-7-9-10(16(3)14-7)13-11(18-9)15(2)6-8-12-4-5-17-8/h4-5H,6H2,1-3H3
InChIKeyPUGKQSGUPLEQCE-UHFFFAOYSA-N
XLogP2.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72920681) is N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(C)Cc3nccs3)sc12.
What is the InChIKey of N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is PUGKQSGUPLEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-7-9-10(16(3)14-7)13-11(18-9)15(2)6-8-12-4-5-17-8/h4-5H,6H2,1-3H3.
What are the key properties of N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 279.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72920681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).