2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C21H18N2OS2 — CID 9392829

IUPAC2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1ccccc1Cc1nc2ccccc2s1
InChIInChI=1S/C21H18N2OS2/c1-23(14-16-8-6-12-25-16)21(24)17-9-3-2-7-15(17)13-20-22-18-10-4-5-11-19(18)26-20/h2-12H,13-14H2,1H3
InChIKeyCFQUWSWYVWYHDM-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.22
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide

2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 9392829) has the molecular formula C21H18N2OS2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID9392829
Molecular FormulaC21H18N2OS2
Molecular Weight378.52 g/mol
Exact Mass378.09
IUPAC Name2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1ccccc1Cc1nc2ccccc2s1
InChIInChI=1S/C21H18N2OS2/c1-23(14-16-8-6-12-25-16)21(24)17-9-3-2-7-15(17)13-20-22-18-10-4-5-11-19(18)26-20/h2-12H,13-14H2,1H3
InChIKeyCFQUWSWYVWYHDM-UHFFFAOYSA-N
XLogP5.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 17437833
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752006
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
2-anilino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2533639
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18117599
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 86991972
3-chloro-N-methyl-6-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62169187
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
N-[2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9393656
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18117640

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 9392829) is 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1cccs1)C(=O)c1ccccc1Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CFQUWSWYVWYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS2/c1-23(14-16-8-6-12-25-16)21(24)17-9-3-2-7-15(17)13-20-22-18-10-4-5-11-19(18)26-20/h2-12H,13-14H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 9392829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).