4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide

C18H20N4O2S — CID 108727737

IUPAC4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2nc3sc(C)c(C)n3n2)cc1C
InChIInChI=1S/C18H20N4O2S/c1-10-5-6-14(9-11(10)2)15(23)7-8-16(24)19-17-20-18-22(21-17)12(3)13(4)25-18/h5-6,9H,7-8H2,1-4H3,(H,19,21,24)
InChIKeyHCIDTCMAUQBJTI-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.63
Rot. Bonds5

About 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide (PubChem CID 108727737) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide
PubChem CID108727737
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2nc3sc(C)c(C)n3n2)cc1C
InChIInChI=1S/C18H20N4O2S/c1-10-5-6-14(9-11(10)2)15(23)7-8-16(24)19-17-20-18-22(21-17)12(3)13(4)25-18/h5-6,9H,7-8H2,1-4H3,(H,19,21,24)
InChIKeyHCIDTCMAUQBJTI-UHFFFAOYSA-N
XLogP3.63
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108727703
4-(3,4-dimethylphenyl)-4-oxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butanamide
CID 108727904
4-(3,4-dimethylphenyl)-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
CID 108728065
4-(3,4-dimethylphenyl)-N-[6-(4-nitrophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
CID 108808026
3-(4-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108727655
4-(3,4-dimethylphenyl)-4-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)butanamide
CID 55819469
2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108727720
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108808019
2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108751712
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-propan-2-ylbenzamide
CID 108727684
N-[6-(2,4-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108728212
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108751632

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide (CID 108727737) is 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2nc3sc(C)c(C)n3n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide?
The InChIKey is HCIDTCMAUQBJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-10-5-6-14(9-11(10)2)15(23)7-8-16(24)19-17-20-18-22(21-17)12(3)13(4)25-18/h5-6,9H,7-8H2,1-4H3,(H,19,21,24).
What are the key properties of 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide has a molecular weight of 356.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 108727737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).