N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide

C13H15N5O3S2 — CID 22432328

IUPACN-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide
SMILESCCCc1nc2nc(C)c(NS(=O)(=O)c3cccs3)c(=O)n2[nH]1
InChIInChI=1S/C13H15N5O3S2/c1-3-5-9-15-13-14-8(2)11(12(19)18(13)16-9)17-23(20,21)10-6-4-7-22-10/h4,6-7,17H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyPYEKUHXNLZPKSU-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.54
Rot. Bonds5

About N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide

N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide (PubChem CID 22432328) has the molecular formula C13H15N5O3S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide
PubChem CID22432328
Molecular FormulaC13H15N5O3S2
Molecular Weight353.43 g/mol
Exact Mass353.06
IUPAC NameN-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide
SMILESCCCc1nc2nc(C)c(NS(=O)(=O)c3cccs3)c(=O)n2[nH]1
InChIInChI=1S/C13H15N5O3S2/c1-3-5-9-15-13-14-8(2)11(12(19)18(13)16-9)17-23(20,21)10-6-4-7-22-10/h4,6-7,17H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyPYEKUHXNLZPKSU-UHFFFAOYSA-N
XLogP1.54
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide
CID 22432423
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
CID 53046182
N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502661
N-[2-(ethylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606461
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934138
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 108781522
N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide
CID 86636901
N-[3-(4-butylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2310349
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-fluorothiophene-2-sulfonamide
CID 175398216

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide (CID 22432328) is N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide is CCCc1nc2nc(C)c(NS(=O)(=O)c3cccs3)c(=O)n2[nH]1.
What is the InChIKey of N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide?
The InChIKey is PYEKUHXNLZPKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S2/c1-3-5-9-15-13-14-8(2)11(12(19)18(13)16-9)17-23(20,21)10-6-4-7-22-10/h4,6-7,17H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide?
N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide has a molecular weight of 353.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-7-oxo-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22432328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).