N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

C23H20N2OS — CID 41116033

IUPACN-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc2nc(N(Cc3ccccc3)C(=O)c3ccccc3)sc2cc1C
InChIInChI=1S/C23H20N2OS/c1-16-13-20-21(14-17(16)2)27-23(24-20)25(15-18-9-5-3-6-10-18)22(26)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3
InChIKeyIKIGUWRLVPSGCE-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.76
Rot. Bonds4

About N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41116033) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41116033
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc2nc(N(Cc3ccccc3)C(=O)c3ccccc3)sc2cc1C
InChIInChI=1S/C23H20N2OS/c1-16-13-20-21(14-17(16)2)27-23(24-20)25(15-18-9-5-3-6-10-18)22(26)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3
InChIKeyIKIGUWRLVPSGCE-UHFFFAOYSA-N
XLogP5.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 41116053
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 41116041
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 41116127
N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
4-benzyl-N-[2-(diethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 43962933
N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8670835
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 41116087
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 41127166
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 41110353
4-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 40699793
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110127

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 41116033) is N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc2nc(N(Cc3ccccc3)C(=O)c3ccccc3)sc2cc1C.
What is the InChIKey of N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is IKIGUWRLVPSGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-16-13-20-21(14-17(16)2)27-23(24-20)25(15-18-9-5-3-6-10-18)22(26)19-11-7-4-8-12-19/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41116033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).