5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C11H15N5O2S2 — CID 28505374

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2nc(N)sc2C1
InChIInChI=1S/C11H15N5O2S2/c1-6-10(7(2)15-14-6)20(17,18)16-4-3-8-9(5-16)19-11(12)13-8/h3-5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyUAKYLLIQSONJCI-UHFFFAOYSA-N
MW313.41 g/mol
LogP0.81
Rot. Bonds2

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 28505374) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID28505374
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCc2nc(N)sc2C1
InChIInChI=1S/C11H15N5O2S2/c1-6-10(7(2)15-14-6)20(17,18)16-4-3-8-9(5-16)19-11(12)13-8/h3-5H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyUAKYLLIQSONJCI-UHFFFAOYSA-N
XLogP0.81
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 28505374) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2nc(N)sc2C1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is UAKYLLIQSONJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-6-10(7(2)15-14-6)20(17,18)16-4-3-8-9(5-16)19-11(12)13-8/h3-5H2,1-2H3,(H2,12,13)(H,14,15).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 313.41 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 28505374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).