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

C11H13N5S2 — CID 72857310

IUPAC1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCc3nccs3)sc12
InChIInChI=1S/C11H13N5S2/c1-7-9-10(16(2)15-7)14-11(18-9)13-4-3-8-12-5-6-17-8/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyZLDWLSHGLRYFOB-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.45
Rot. Bonds4

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

1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72857310) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72857310
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCc3nccs3)sc12
InChIInChI=1S/C11H13N5S2/c1-7-9-10(16(2)15-7)14-11(18-9)13-4-3-8-12-5-6-17-8/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyZLDWLSHGLRYFOB-UHFFFAOYSA-N
XLogP2.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.45
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-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72857310) is 1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCCc3nccs3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is ZLDWLSHGLRYFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-7-9-10(16(2)15-7)14-11(18-9)13-4-3-8-12-5-6-17-8/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 279.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72857310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).