N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide

C13H12N4O2S2 — CID 108740560

IUPACN-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1csc2nc(NC(=O)CCC(=O)c3cccs3)nn12
InChIInChI=1S/C13H12N4O2S2/c1-8-7-21-13-15-12(16-17(8)13)14-11(19)5-4-9(18)10-3-2-6-20-10/h2-3,6-7H,4-5H2,1H3,(H,14,16,19)
InChIKeyICUFYOUFAGOPOW-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.76
Rot. Bonds5

About N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide

N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108740560) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108740560
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1csc2nc(NC(=O)CCC(=O)c3cccs3)nn12
InChIInChI=1S/C13H12N4O2S2/c1-8-7-21-13-15-12(16-17(8)13)14-11(19)5-4-9(18)10-3-2-6-20-10/h2-3,6-7H,4-5H2,1H3,(H,14,16,19)
InChIKeyICUFYOUFAGOPOW-UHFFFAOYSA-N
XLogP2.76
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
4-(3,4-dimethylphenyl)-4-oxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butanamide
CID 108727904
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108728520
4-oxo-4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36579570
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 4792264
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 55610699
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxo-4-phenylbutanamide
CID 108729091
methyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108807732

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide (CID 108740560) is N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide is Cc1csc2nc(NC(=O)CCC(=O)c3cccs3)nn12.
What is the InChIKey of N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is ICUFYOUFAGOPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-8-7-21-13-15-12(16-17(8)13)14-11(19)5-4-9(18)10-3-2-6-20-10/h2-3,6-7H,4-5H2,1H3,(H,14,16,19).
What are the key properties of N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 320.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108740560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).