N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide

C21H26N4O2S — CID 46301396

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(=O)Nc1nnc(C(C)C)s1)n1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C21H26N4O2S/c1-7-16(19(27)22-21-24-23-20(28-21)11(2)3)25-17(26)10-13(5)15-9-12(4)8-14(6)18(15)25/h8-11,16H,7H2,1-6H3,(H,22,24,27)
InChIKeyXYODBFSYZITGDF-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.49
Rot. Bonds5

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide (PubChem CID 46301396) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
PubChem CID46301396
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
SMILESCCC(C(=O)Nc1nnc(C(C)C)s1)n1c(=O)cc(C)c2cc(C)cc(C)c21
InChIInChI=1S/C21H26N4O2S/c1-7-16(19(27)22-21-24-23-20(28-21)11(2)3)25-17(26)10-13(5)15-9-12(4)8-14(6)18(15)25/h8-11,16H,7H2,1-6H3,(H,22,24,27)
InChIKeyXYODBFSYZITGDF-UHFFFAOYSA-N
XLogP4.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301387
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
CID 46301191
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301224
2-(4-methyl-2-oxoquinolin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 46301098
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 46306717
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 7121163
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butanamide
CID 46304378
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
S-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl] ethanethioate
CID 17308981
ethyl 2-[(2S)-1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate
CID 7121062
5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18093759

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide (CID 46301396) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide is CCC(C(=O)Nc1nnc(C(C)C)s1)n1c(=O)cc(C)c2cc(C)cc(C)c21.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide?
The InChIKey is XYODBFSYZITGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-7-16(19(27)22-21-24-23-20(28-21)11(2)3)25-17(26)10-13(5)15-9-12(4)8-14(6)18(15)25/h8-11,16H,7H2,1-6H3,(H,22,24,27).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide has a molecular weight of 398.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide is sourced from PubChem (CID 46301396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).