N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C15H15FN4O2S — CID 136569310

IUPACN-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)Nc2nc3cc(C)c(F)cc3s2)n1
InChIInChI=1S/C15H15FN4O2S/c1-8-6-11-12(7-10(8)16)23-15(18-11)19-13(21)4-3-5-14-17-9(2)20-22-14/h6-7H,3-5H2,1-2H3,(H,18,19,21)
InChIKeySHSIRRJDBWEVPK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.40
Rot. Bonds5

About N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 136569310) has the molecular formula C15H15FN4O2S and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID136569310
Molecular FormulaC15H15FN4O2S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC NameN-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)Nc2nc3cc(C)c(F)cc3s2)n1
InChIInChI=1S/C15H15FN4O2S/c1-8-6-11-12(7-10(8)16)23-15(18-11)19-13(21)4-3-5-14-17-9(2)20-22-14/h6-7H,3-5H2,1-2H3,(H,18,19,21)
InChIKeySHSIRRJDBWEVPK-UHFFFAOYSA-N
XLogP3.40
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180517
N-(4-bromo-3-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180626
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide
CID 56538986
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbutanamide
CID 47208997
N-[3-[(4-fluorophenyl)methoxy]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55830314
4-(2,5-dimethylthiophen-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 126420574
5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419895
N-(2-fluoro-4-methylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917581
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 154738324
N-[4-(difluoromethylsulfanyl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 51082840
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7524891
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 136569310) is N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)Nc2nc3cc(C)c(F)cc3s2)n1.
What is the InChIKey of N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is SHSIRRJDBWEVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2S/c1-8-6-11-12(7-10(8)16)23-15(18-11)19-13(21)4-3-5-14-17-9(2)20-22-14/h6-7H,3-5H2,1-2H3,(H,18,19,21).
What are the key properties of N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 334.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 136569310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).