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

C11H10N6O2S2 — CID 131928581

IUPACN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cnccn2)n1)c1cn[nH]c1
InChIInChI=1S/C11H10N6O2S2/c18-21(19,9-4-14-15-5-9)16-3-8-7-20-11(17-8)10-6-12-1-2-13-10/h1-2,4-7,16H,3H2,(H,14,15)
InChIKeyOIMSDVSFRMKYCA-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.80
Rot. Bonds5

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

N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 131928581) has the molecular formula C11H10N6O2S2 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID131928581
Molecular FormulaC11H10N6O2S2
Molecular Weight322.38 g/mol
Exact Mass322.03
IUPAC NameN-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cnccn2)n1)c1cn[nH]c1
InChIInChI=1S/C11H10N6O2S2/c18-21(19,9-4-14-15-5-9)16-3-8-7-20-11(17-8)10-6-12-1-2-13-10/h1-2,4-7,16H,3H2,(H,14,15)
InChIKeyOIMSDVSFRMKYCA-UHFFFAOYSA-N
XLogP0.80
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 131922982
1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
CID 131925661
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810938
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 49460068
6-tert-butyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-4-carboxamide
CID 91779297
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103697752
1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 131928581) is N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCc1csc(-c2cnccn2)n1)c1cn[nH]c1.
What is the InChIKey of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is OIMSDVSFRMKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2S2/c18-21(19,9-4-14-15-5-9)16-3-8-7-20-11(17-8)10-6-12-1-2-13-10/h1-2,4-7,16H,3H2,(H,14,15).
What are the key properties of N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 322.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131928581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).