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

C10H13N5O2S2 — CID 43593444

IUPAC1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nc3c(s2)CNCC3)cn1
InChIInChI=1S/C10H13N5O2S2/c1-15-6-7(4-12-15)19(16,17)14-10-13-8-2-3-11-5-9(8)18-10/h4,6,11H,2-3,5H2,1H3,(H,13,14)
InChIKeyKGNOPQKJIQVLKO-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.32
Rot. Bonds3

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

1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide (PubChem CID 43593444) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide
PubChem CID43593444
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nc3c(s2)CNCC3)cn1
InChIInChI=1S/C10H13N5O2S2/c1-15-6-7(4-12-15)19(16,17)14-10-13-8-2-3-11-5-9(8)18-10/h4,6,11H,2-3,5H2,1H3,(H,13,14)
InChIKeyKGNOPQKJIQVLKO-UHFFFAOYSA-N
XLogP0.32
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide (CID 43593444) is 1-methyl-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-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2nc3c(s2)CNCC3)cn1.
What is the InChIKey of 1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide?
The InChIKey is KGNOPQKJIQVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c1-15-6-7(4-12-15)19(16,17)14-10-13-8-2-3-11-5-9(8)18-10/h4,6,11H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide?
1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 43593444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).