N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide

C12H13N5O3S2 — CID 166193583

IUPACN-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide
SMILESCc1cc(Cn2nnc(NS(=O)(=O)c3ccsc3)c2C)no1
InChIInChI=1S/C12H13N5O3S2/c1-8-5-10(14-20-8)6-17-9(2)12(13-16-17)15-22(18,19)11-3-4-21-7-11/h3-5,7,15H,6H2,1-2H3
InChIKeyFPBNYKWOXCBJQP-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.79
Rot. Bonds5

About N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide

N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide (PubChem CID 166193583) has the molecular formula C12H13N5O3S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide
PubChem CID166193583
Molecular FormulaC12H13N5O3S2
Molecular Weight339.40 g/mol
Exact Mass339.05
IUPAC NameN-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide
SMILESCc1cc(Cn2nnc(NS(=O)(=O)c3ccsc3)c2C)no1
InChIInChI=1S/C12H13N5O3S2/c1-8-5-10(14-20-8)6-17-9(2)12(13-16-17)15-22(18,19)11-3-4-21-7-11/h3-5,7,15H,6H2,1-2H3
InChIKeyFPBNYKWOXCBJQP-UHFFFAOYSA-N
XLogP1.79
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-Propyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
CID 79541902
5-Methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
CID 79542423
5-Ethyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-amine
CID 79542827

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide?
The IUPAC name of N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide (CID 166193583) is N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide is Cc1cc(Cn2nnc(NS(=O)(=O)c3ccsc3)c2C)no1.
What is the InChIKey of N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide?
The InChIKey is FPBNYKWOXCBJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S2/c1-8-5-10(14-20-8)6-17-9(2)12(13-16-17)15-22(18,19)11-3-4-21-7-11/h3-5,7,15H,6H2,1-2H3.
What are the key properties of N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide?
N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide has a molecular weight of 339.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 166193583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).