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

C13H21N5O2S2 — CID 71688172

IUPAC1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1C
InChIInChI=1S/C13H21N5O2S2/c1-6-18-10(5)12(9(4)16-18)22(19,20)17-13-15-14-11(21-13)7-8(2)3/h8H,6-7H2,1-5H3,(H,15,17)
InChIKeyNZUGQDLBRZVGGD-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.37
Rot. Bonds6

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

1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide (PubChem CID 71688172) has the molecular formula C13H21N5O2S2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide
PubChem CID71688172
Molecular FormulaC13H21N5O2S2
Molecular Weight343.48 g/mol
Exact Mass343.11
IUPAC Name1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1C
InChIInChI=1S/C13H21N5O2S2/c1-6-18-10(5)12(9(4)16-18)22(19,20)17-13-15-14-11(21-13)7-8(2)3/h8H,6-7H2,1-5H3,(H,15,17)
InChIKeyNZUGQDLBRZVGGD-UHFFFAOYSA-N
XLogP2.37
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide (CID 71688172) is 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide?
The InChIKey is NZUGQDLBRZVGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S2/c1-6-18-10(5)12(9(4)16-18)22(19,20)17-13-15-14-11(21-13)7-8(2)3/h8H,6-7H2,1-5H3,(H,15,17).
What are the key properties of 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide has a molecular weight of 343.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71688172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).