N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide

C10H14N4O2S2 — CID 51088745

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cnn(C)c2)sc1C
InChIInChI=1S/C10H14N4O2S2/c1-4-9-7(2)17-10(12-9)13-18(15,16)8-5-11-14(3)6-8/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyDXGFFUBOBMLAQO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.55
Rot. Bonds4

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 51088745) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID51088745
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cnn(C)c2)sc1C
InChIInChI=1S/C10H14N4O2S2/c1-4-9-7(2)17-10(12-9)13-18(15,16)8-5-11-14(3)6-8/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyDXGFFUBOBMLAQO-UHFFFAOYSA-N
XLogP1.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide (CID 51088745) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide is CCc1nc(NS(=O)(=O)c2cnn(C)c2)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is DXGFFUBOBMLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-4-9-7(2)17-10(12-9)13-18(15,16)8-5-11-14(3)6-8/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 51088745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).