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

C12H16N4O3S2 — CID 106262624

IUPAC5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2ccc(CO)cn2)s1
InChIInChI=1S/C12H16N4O3S2/c1-8(2)5-10-14-15-12(20-10)16-21(18,19)11-4-3-9(7-17)6-13-11/h3-4,6,8,17H,5,7H2,1-2H3,(H,15,16)
InChIKeyBQSWSLYMYBYAOI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.42
Rot. Bonds6

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

5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide (PubChem CID 106262624) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
PubChem CID106262624
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2ccc(CO)cn2)s1
InChIInChI=1S/C12H16N4O3S2/c1-8(2)5-10-14-15-12(20-10)16-21(18,19)11-4-3-9(7-17)6-13-11/h3-4,6,8,17H,5,7H2,1-2H3,(H,15,16)
InChIKeyBQSWSLYMYBYAOI-UHFFFAOYSA-N
XLogP1.42
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide (CID 106262624) is 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide is CC(C)Cc1nnc(NS(=O)(=O)c2ccc(CO)cn2)s1.
What is the InChIKey of 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
The InChIKey is BQSWSLYMYBYAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-8(2)5-10-14-15-12(20-10)16-21(18,19)11-4-3-9(7-17)6-13-11/h3-4,6,8,17H,5,7H2,1-2H3,(H,15,16).
What are the key properties of 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide?
5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 106262624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).