5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide

C8H11N5O2S2 — CID 61282417

IUPAC5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cn[nH]c2N)cs1
InChIInChI=1S/C8H11N5O2S2/c1-5-12-6(4-16-5)2-11-17(14,15)7-3-10-13-8(7)9/h3-4,11H,2H2,1H3,(H3,9,10,13)
InChIKeyIYSJPHLDKXHIRM-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.24
Rot. Bonds4

About 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61282417) has the molecular formula C8H11N5O2S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID61282417
Molecular FormulaC8H11N5O2S2
Molecular Weight273.34 g/mol
Exact Mass273.04
IUPAC Name5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cn[nH]c2N)cs1
InChIInChI=1S/C8H11N5O2S2/c1-5-12-6(4-16-5)2-11-17(14,15)7-3-10-13-8(7)9/h3-4,11H,2H2,1H3,(H3,9,10,13)
InChIKeyIYSJPHLDKXHIRM-UHFFFAOYSA-N
XLogP0.24
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
5-amino-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282243
2-amino-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63945805
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61284223
5-amino-N-(2-methoxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 104758545
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
3-amino-4-bromo-5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 103077389
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 115993516
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 61282417) is 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1nc(CNS(=O)(=O)c2cn[nH]c2N)cs1.
What is the InChIKey of 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is IYSJPHLDKXHIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S2/c1-5-12-6(4-16-5)2-11-17(14,15)7-3-10-13-8(7)9/h3-4,11H,2H2,1H3,(H3,9,10,13).
What are the key properties of 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 273.34 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61282417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).