N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide

C9H13N5O2S2 — CID 71688263

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cnn(C(C)C)c2)s1
InChIInChI=1S/C9H13N5O2S2/c1-6(2)14-5-8(4-10-14)18(15,16)13-9-12-11-7(3)17-9/h4-6H,1-3H3,(H,12,13)
InChIKeyBAVNFEQABKLAGQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.42
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688263) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688263
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2cnn(C(C)C)c2)s1
InChIInChI=1S/C9H13N5O2S2/c1-6(2)14-5-8(4-10-14)18(15,16)13-9-12-11-7(3)17-9/h4-6H,1-3H3,(H,12,13)
InChIKeyBAVNFEQABKLAGQ-UHFFFAOYSA-N
XLogP1.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688263) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nnc(NS(=O)(=O)c2cnn(C(C)C)c2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is BAVNFEQABKLAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c1-6(2)14-5-8(4-10-14)18(15,16)13-9-12-11-7(3)17-9/h4-6H,1-3H3,(H,12,13).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).