1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide

C12H17N5O2S2 — CID 43593448

IUPAC1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C12H17N5O2S2/c1-7-11(8(2)17(3)15-7)21(18,19)16-12-14-9-4-5-13-6-10(9)20-12/h13H,4-6H2,1-3H3,(H,14,16)
InChIKeyDELUOCUCMJDDPD-UHFFFAOYSA-N
MW327.44 g/mol
LogP0.94
Rot. Bonds3

About 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide (PubChem CID 43593448) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide
PubChem CID43593448
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C12H17N5O2S2/c1-7-11(8(2)17(3)15-7)21(18,19)16-12-14-9-4-5-13-6-10(9)20-12/h13H,4-6H2,1-3H3,(H,14,16)
InChIKeyDELUOCUCMJDDPD-UHFFFAOYSA-N
XLogP0.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide (CID 43593448) is 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide?
The InChIKey is DELUOCUCMJDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-7-11(8(2)17(3)15-7)21(18,19)16-12-14-9-4-5-13-6-10(9)20-12/h13H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 43593448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).