N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide

C21H26N2O3S — CID 126784780

IUPACN-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1ccccc1OCC1CCCO1
InChIInChI=1S/C21H26N2O3S/c1-23(13-20-22-17-9-3-5-11-19(17)27-20)21(24)16-8-2-4-10-18(16)26-14-15-7-6-12-25-15/h2,4,8,10,15H,3,5-7,9,11-14H2,1H3
InChIKeyUQVIRGDLMBYRFK-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.85
Rot. Bonds6

About N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide

N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide (PubChem CID 126784780) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide
PubChem CID126784780
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide
SMILESCN(Cc1nc2c(s1)CCCC2)C(=O)c1ccccc1OCC1CCCO1
InChIInChI=1S/C21H26N2O3S/c1-23(13-20-22-17-9-3-5-11-19(17)27-20)21(24)16-8-2-4-10-18(16)26-14-15-7-6-12-25-15/h2,4,8,10,15H,3,5-7,9,11-14H2,1H3
InChIKeyUQVIRGDLMBYRFK-UHFFFAOYSA-N
XLogP3.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide with MolForge

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Related Compounds

2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethoxy)benzamide
CID 42924031
N,1-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)indazole-3-carboxamide
CID 135104076
3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)urea
CID 118787365
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 55023414
4-[[(2R)-oxolan-2-yl]methoxy]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 30254308
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044155
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 27147014
N-methyl-1-[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)methanamine
CID 45221043
N,N-dimethyl-4-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 175640506

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide (CID 126784780) is N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide is CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccccc1OCC1CCCO1.
What is the InChIKey of N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide?
The InChIKey is UQVIRGDLMBYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-23(13-20-22-17-9-3-5-11-19(17)27-20)21(24)16-8-2-4-10-18(16)26-14-15-7-6-12-25-15/h2,4,8,10,15H,3,5-7,9,11-14H2,1H3.
What are the key properties of N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide?
N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-ylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 126784780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).