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

C10H14N4O2S2 — CID 54953916

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cn[nH]c2C)sc1C
InChIInChI=1S/C10H14N4O2S2/c1-4-8-7(3)17-10(12-8)14-18(15,16)9-5-11-13-6(9)2/h5H,4H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyHXFGQNSSFXXNSV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.85
Rot. Bonds4

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

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54953916) 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)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54953916
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCc1nc(NS(=O)(=O)c2cn[nH]c2C)sc1C
InChIInChI=1S/C10H14N4O2S2/c1-4-8-7(3)17-10(12-8)14-18(15,16)9-5-11-13-6(9)2/h5H,4H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyHXFGQNSSFXXNSV-UHFFFAOYSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54953916) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is CCc1nc(NS(=O)(=O)c2cn[nH]c2C)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is HXFGQNSSFXXNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-4-8-7(3)17-10(12-8)14-18(15,16)9-5-11-13-6(9)2/h5H,4H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54953916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).