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

C14H22N4O2S2 — CID 71864008

IUPACN-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(CCc2scnc2C)c1C
InChIInChI=1S/C14H22N4O2S2/c1-6-17(5)22(19,20)14-11(3)16-18(12(14)4)8-7-13-10(2)15-9-21-13/h9H,6-8H2,1-5H3
InChIKeyXCAVDPJJBSEDSK-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.15
Rot. Bonds6

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

N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 71864008) has the molecular formula C14H22N4O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID71864008
Molecular FormulaC14H22N4O2S2
Molecular Weight342.49 g/mol
Exact Mass342.12
IUPAC NameN-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(CCc2scnc2C)c1C
InChIInChI=1S/C14H22N4O2S2/c1-6-17(5)22(19,20)14-11(3)16-18(12(14)4)8-7-13-10(2)15-9-21-13/h9H,6-8H2,1-5H3
InChIKeyXCAVDPJJBSEDSK-UHFFFAOYSA-N
XLogP2.15
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide (CID 71864008) is N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide is CCN(C)S(=O)(=O)c1c(C)nn(CCc2scnc2C)c1C.
What is the InChIKey of N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is XCAVDPJJBSEDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S2/c1-6-17(5)22(19,20)14-11(3)16-18(12(14)4)8-7-13-10(2)15-9-21-13/h9H,6-8H2,1-5H3.
What are the key properties of N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 342.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3,5-trimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71864008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).