N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide

C14H17N5O2S3 — CID 110401308

IUPACN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nn3c(C4CC4)nnc3s2)s1
InChIInChI=1S/C14H17N5O2S3/c1-2-10-5-6-12(22-10)24(20,21)15-8-7-11-18-19-13(9-3-4-9)16-17-14(19)23-11/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyDWZMDNLSQMATHY-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.21
Rot. Bonds7

About N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide

N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 110401308) has the molecular formula C14H17N5O2S3 and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID110401308
Molecular FormulaC14H17N5O2S3
Molecular Weight383.52 g/mol
Exact Mass383.05
IUPAC NameN-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nn3c(C4CC4)nnc3s2)s1
InChIInChI=1S/C14H17N5O2S3/c1-2-10-5-6-12(22-10)24(20,21)15-8-7-11-18-19-13(9-3-4-9)16-17-14(19)23-11/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyDWZMDNLSQMATHY-UHFFFAOYSA-N
XLogP2.21
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110401298
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110401255
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
CID 110401207
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]furan-2-carboxamide
CID 110401210
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-dimethoxybenzamide
CID 110401232
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide
CID 110401241
N-cyclopropyl-N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113052210
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-difluorobenzamide
CID 110401260
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzenesulfonamide
CID 110400963
5-methyl-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]thiophene-2-sulfonamide
CID 110401619
N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-3,4-dimethylbenzamide
CID 110401364
N-[(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110401475

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide (CID 110401308) is N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2nn3c(C4CC4)nnc3s2)s1.
What is the InChIKey of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is DWZMDNLSQMATHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S3/c1-2-10-5-6-12(22-10)24(20,21)15-8-7-11-18-19-13(9-3-4-9)16-17-14(19)23-11/h5-6,9,15H,2-4,7-8H2,1H3.
What are the key properties of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 383.52 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 110401308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).