N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide

C8H10N4O2S2 — CID 71912971

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1nccs1
InChIInChI=1S/C8H10N4O2S2/c1-12-7(2-3-10-12)6-11-16(13,14)8-9-4-5-15-8/h2-5,11H,6H2,1H3
InChIKeyWMLCOSWYIHWMTE-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.36
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide

N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide (PubChem CID 71912971) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide
PubChem CID71912971
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1nccs1
InChIInChI=1S/C8H10N4O2S2/c1-12-7(2-3-10-12)6-11-16(13,14)8-9-4-5-15-8/h2-5,11H,6H2,1H3
InChIKeyWMLCOSWYIHWMTE-UHFFFAOYSA-N
XLogP0.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide (CID 71912971) is N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide is Cn1nccc1CNS(=O)(=O)c1nccs1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide?
The InChIKey is WMLCOSWYIHWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c1-12-7(2-3-10-12)6-11-16(13,14)8-9-4-5-15-8/h2-5,11H,6H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide?
N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide has a molecular weight of 258.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 71912971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).