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

C9H11N5O2S2 — CID 54936887

IUPACN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)c1cn[nH]c1
InChIInChI=1S/C9H11N5O2S2/c15-18(16,6-3-11-12-4-6)14-9-13-7-1-2-10-5-8(7)17-9/h3-4,10H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyWYGZVPHXGBTBDG-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.31
Rot. Bonds3

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

N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 54936887) has the molecular formula C9H11N5O2S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID54936887
Molecular FormulaC9H11N5O2S2
Molecular Weight285.35 g/mol
Exact Mass285.04
IUPAC NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)c1cn[nH]c1
InChIInChI=1S/C9H11N5O2S2/c15-18(16,6-3-11-12-4-6)14-9-13-7-1-2-10-5-8(7)17-9/h3-4,10H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyWYGZVPHXGBTBDG-UHFFFAOYSA-N
XLogP0.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide (CID 54936887) is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1nc2c(s1)CNCC2)c1cn[nH]c1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WYGZVPHXGBTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S2/c15-18(16,6-3-11-12-4-6)14-9-13-7-1-2-10-5-8(7)17-9/h3-4,10H,1-2,5H2,(H,11,12)(H,13,14).
What are the key properties of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide?
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 285.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54936887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).