N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C23H16N4O2S — CID 24608180

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1cccc2sc(NC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)nc12
InChIInChI=1S/C23H16N4O2S/c1-14-6-5-9-18-19(14)24-23(30-18)25-20(28)15-10-12-17(13-11-15)22-27-26-21(29-22)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,25,28)
InChIKeyYSFTUGOHANKNHD-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.57
Rot. Bonds4

About N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24608180) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID24608180
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1cccc2sc(NC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)nc12
InChIInChI=1S/C23H16N4O2S/c1-14-6-5-9-18-19(14)24-23(30-18)25-20(28)15-10-12-17(13-11-15)22-27-26-21(29-22)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,25,28)
InChIKeyYSFTUGOHANKNHD-UHFFFAOYSA-N
XLogP5.57
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
2,4,5-trimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 35871795
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5072919
N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;N-[(2-methylphenyl)carbamothioyl]benzamide
CID 159176709
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
2-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500585

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24608180) is N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1cccc2sc(NC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is YSFTUGOHANKNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c1-14-6-5-9-18-19(14)24-23(30-18)25-20(28)15-10-12-17(13-11-15)22-27-26-21(29-22)16-7-3-2-4-8-16/h2-13H,1H3,(H,24,25,28).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 412.47 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24608180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).