N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide

C8H11N5O2S2 — CID 167962685

IUPACN-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C8H11N5O2S2/c1-3-17(14,15)12-8-10-7(11-16-8)6-4-9-13(2)5-6/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyKVSBECVVMVDGAV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.70
Rot. Bonds4

About N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide

N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide (PubChem CID 167962685) has the molecular formula C8H11N5O2S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide
PubChem CID167962685
Molecular FormulaC8H11N5O2S2
Molecular Weight273.34 g/mol
Exact Mass273.04
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C8H11N5O2S2/c1-3-17(14,15)12-8-10-7(11-16-8)6-4-9-13(2)5-6/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyKVSBECVVMVDGAV-UHFFFAOYSA-N
XLogP0.70
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 65269150
2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide
CID 138020657
5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
CID 154785691
N-[2-[2-methyl-6-(1-methylpyrazol-4-yl)-1-oxoisoquinolin-4-yl]-4-pyridinyl]ethanesulfonamide
CID 118022049
3-(1-ethylpyrazol-4-yl)-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 25204109
5-[(dimethylsulfamoylamino)methyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 121195101
6-ethyl-N-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 62201696
2-[4,6-diethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]acetic acid
CID 79218431
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide
CID 75428354
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 167791806
N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133321526

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide (CID 167962685) is N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide is CCS(=O)(=O)Nc1nc(-c2cnn(C)c2)ns1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide?
The InChIKey is KVSBECVVMVDGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S2/c1-3-17(14,15)12-8-10-7(11-16-8)6-4-9-13(2)5-6/h4-5H,3H2,1-2H3,(H,10,11,12).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide?
N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide has a molecular weight of 273.34 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide is sourced from PubChem (CID 167962685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).