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

C10H14N4O2S2 — CID 47349973

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(C)c(C(C)NS(=O)(=O)c2cn[nH]c2)s1
InChIInChI=1S/C10H14N4O2S2/c1-6-10(17-8(3)13-6)7(2)14-18(15,16)9-4-11-12-5-9/h4-5,7,14H,1-3H3,(H,11,12)
InChIKeyBGPLKJAEFNLTDX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.52
Rot. Bonds4

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47349973) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID47349973
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(C)c(C(C)NS(=O)(=O)c2cn[nH]c2)s1
InChIInChI=1S/C10H14N4O2S2/c1-6-10(17-8(3)13-6)7(2)14-18(15,16)9-4-11-12-5-9/h4-5,7,14H,1-3H3,(H,11,12)
InChIKeyBGPLKJAEFNLTDX-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 47349973) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1nc(C)c(C(C)NS(=O)(=O)c2cn[nH]c2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is BGPLKJAEFNLTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-6-10(17-8(3)13-6)7(2)14-18(15,16)9-4-11-12-5-9/h4-5,7,14H,1-3H3,(H,11,12).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47349973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).