3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide

C11H15N5O2S2 — CID 106261994

IUPAC3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2ncccc2N)s1
InChIInChI=1S/C11H15N5O2S2/c1-7(2)6-9-14-15-11(19-9)16-20(17,18)10-8(12)4-3-5-13-10/h3-5,7H,6,12H2,1-2H3,(H,15,16)
InChIKeyWPEFSMWVJWEHRG-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide

3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide (PubChem CID 106261994) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
PubChem CID106261994
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC Name3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2ncccc2N)s1
InChIInChI=1S/C11H15N5O2S2/c1-7(2)6-9-14-15-11(19-9)16-20(17,18)10-8(12)4-3-5-13-10/h3-5,7H,6,12H2,1-2H3,(H,15,16)
InChIKeyWPEFSMWVJWEHRG-UHFFFAOYSA-N
XLogP1.51
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 20983490
2-amino-5-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259755
4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106261423
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 103305618
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
3-amino-5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106259695
2,4-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 19258297
3-amino-N-propan-2-ylpyridine-2-sulfonamide
CID 103303655
4-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740834
5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
CID 106262624
2-bromo-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740851

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide (CID 106261994) is 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide is CC(C)Cc1nnc(NS(=O)(=O)c2ncccc2N)s1.
What is the InChIKey of 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The InChIKey is WPEFSMWVJWEHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-7(2)6-9-14-15-11(19-9)16-20(17,18)10-8(12)4-3-5-13-10/h3-5,7H,6,12H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide has a molecular weight of 313.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 106261994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).