N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide

C8H10N4O2S2 — CID 102692815

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCc1ncc(CNS(=O)(=O)c2ccn[nH]2)s1
InChIInChI=1S/C8H10N4O2S2/c1-6-9-4-7(15-6)5-11-16(13,14)8-2-3-10-12-8/h2-4,11H,5H2,1H3,(H,10,12)
InChIKeyYIJVHEOBPQYXFC-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.65
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692815) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692815
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCc1ncc(CNS(=O)(=O)c2ccn[nH]2)s1
InChIInChI=1S/C8H10N4O2S2/c1-6-9-4-7(15-6)5-11-16(13,14)8-2-3-10-12-8/h2-4,11H,5H2,1H3,(H,10,12)
InChIKeyYIJVHEOBPQYXFC-UHFFFAOYSA-N
XLogP0.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 102692815) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide is Cc1ncc(CNS(=O)(=O)c2ccn[nH]2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is YIJVHEOBPQYXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c1-6-9-4-7(15-6)5-11-16(13,14)8-2-3-10-12-8/h2-4,11H,5H2,1H3,(H,10,12).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 258.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).