N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide

C10H11N3O2S2 — CID 3239290

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccnc2)cs1
InChIInChI=1S/C10H11N3O2S2/c1-8-13-9(7-16-8)5-12-17(14,15)10-3-2-4-11-6-10/h2-4,6-7,12H,5H2,1H3
InChIKeyWJTQWHPDQYHAKA-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.33
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 3239290) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID3239290
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccnc2)cs1
InChIInChI=1S/C10H11N3O2S2/c1-8-13-9(7-16-8)5-12-17(14,15)10-3-2-4-11-6-10/h2-4,6-7,12H,5H2,1H3
InChIKeyWJTQWHPDQYHAKA-UHFFFAOYSA-N
XLogP1.33
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (CID 3239290) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is Cc1nc(CNS(=O)(=O)c2cccnc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is WJTQWHPDQYHAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-8-13-9(7-16-8)5-12-17(14,15)10-3-2-4-11-6-10/h2-4,6-7,12H,5H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 3239290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).