5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C7H9N5O2S2 — CID 61284223

IUPAC5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCc1nccs1
InChIInChI=1S/C7H9N5O2S2/c8-7-5(3-10-12-7)16(13,14)11-4-6-9-1-2-15-6/h1-3,11H,4H2,(H3,8,10,12)
InChIKeyDKHJKGYLMJVPCJ-UHFFFAOYSA-N
MW259.32 g/mol
LogP-0.07
Rot. Bonds4

About 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61284223) has the molecular formula C7H9N5O2S2 and a molecular weight of 259.32 g/mol. Its IUPAC name is 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID61284223
Molecular FormulaC7H9N5O2S2
Molecular Weight259.32 g/mol
Exact Mass259.02
IUPAC Name5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCc1nccs1
InChIInChI=1S/C7H9N5O2S2/c8-7-5(3-10-12-7)16(13,14)11-4-6-9-1-2-15-6/h1-3,11H,4H2,(H3,8,10,12)
InChIKeyDKHJKGYLMJVPCJ-UHFFFAOYSA-N
XLogP-0.07
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61282417
5-amino-4-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625413
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 107229545
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 102920624
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110738865
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
5-amino-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79552513
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 115329878

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 61284223) is 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCc1nccs1.
What is the InChIKey of 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DKHJKGYLMJVPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S2/c8-7-5(3-10-12-7)16(13,14)11-4-6-9-1-2-15-6/h1-3,11H,4H2,(H3,8,10,12).
What are the key properties of 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 259.32 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61284223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).