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

C12H19N5O2S2 — CID 71688178

IUPAC1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1
InChIInChI=1S/C12H19N5O2S2/c1-5-7-10-13-14-12(20-10)16-21(18,19)11-8(3)15-17(6-2)9(11)4/h5-7H2,1-4H3,(H,14,16)
InChIKeySIAFVSXZCXNCOI-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.12
Rot. Bonds6

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

1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 71688178) has the molecular formula C12H19N5O2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID71688178
Molecular FormulaC12H19N5O2S2
Molecular Weight329.45 g/mol
Exact Mass329.10
IUPAC Name1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1
InChIInChI=1S/C12H19N5O2S2/c1-5-7-10-13-14-12(20-10)16-21(18,19)11-8(3)15-17(6-2)9(11)4/h5-7H2,1-4H3,(H,14,16)
InChIKeySIAFVSXZCXNCOI-UHFFFAOYSA-N
XLogP2.12
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.12
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-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide (CID 71688178) is 1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide is CCCc1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is SIAFVSXZCXNCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S2/c1-5-7-10-13-14-12(20-10)16-21(18,19)11-8(3)15-17(6-2)9(11)4/h5-7H2,1-4H3,(H,14,16).
What are the key properties of 1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 2.12, 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-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71688178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).