N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide

C22H24N2O2S — CID 30971778

IUPACN-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide
SMILESCc1cc(C)c2sc(N(Cc3ccccc3)C(=O)C3CCOCC3)nc2c1
InChIInChI=1S/C22H24N2O2S/c1-15-12-16(2)20-19(13-15)23-22(27-20)24(14-17-6-4-3-5-7-17)21(25)18-8-10-26-11-9-18/h3-7,12-13,18H,8-11,14H2,1-2H3
InChIKeyVCZIZQUJLSQJPO-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.87
Rot. Bonds4

About N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide

N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide (PubChem CID 30971778) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide
PubChem CID30971778
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide
SMILESCc1cc(C)c2sc(N(Cc3ccccc3)C(=O)C3CCOCC3)nc2c1
InChIInChI=1S/C22H24N2O2S/c1-15-12-16(2)20-19(13-15)23-22(27-20)24(14-17-6-4-3-5-7-17)21(25)18-8-10-26-11-9-18/h3-7,12-13,18H,8-11,14H2,1-2H3
InChIKeyVCZIZQUJLSQJPO-UHFFFAOYSA-N
XLogP4.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41108410
N-benzyl-2-(4-chlorophenoxy)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 41110637
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 41110640
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-9H-xanthene-9-carboxamide
CID 43967347
1-(5-chlorothiophen-2-yl)sulfonyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 43968173
N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4665422
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325664
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 30715249
N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 44927043
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-iodo-N-(pyridin-3-ylmethyl)benzamide
CID 40995992
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 40694381
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55622726

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide (CID 30971778) is N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide is Cc1cc(C)c2sc(N(Cc3ccccc3)C(=O)C3CCOCC3)nc2c1.
What is the InChIKey of N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide?
The InChIKey is VCZIZQUJLSQJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-12-16(2)20-19(13-15)23-22(27-20)24(14-17-6-4-3-5-7-17)21(25)18-8-10-26-11-9-18/h3-7,12-13,18H,8-11,14H2,1-2H3.
What are the key properties of N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide?
N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 30971778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).