(2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide

C17H22N2O3S — CID 99795891

IUPAC(2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide
SMILESCOCCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1nc2ccccc2s1
InChIInChI=1S/C17H22N2O3S/c1-12-13(6-5-10-22-12)16(20)19(9-11-21-2)17-18-14-7-3-4-8-15(14)23-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyRMSCWEJHYPDKGI-CHWSQXEVSA-N
MW334.44 g/mol
LogP3.09
Rot. Bonds5

About (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide

(2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide (PubChem CID 99795891) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide
PubChem CID99795891
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide
SMILESCOCCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1nc2ccccc2s1
InChIInChI=1S/C17H22N2O3S/c1-12-13(6-5-10-22-12)16(20)19(9-11-21-2)17-18-14-7-3-4-8-15(14)23-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyRMSCWEJHYPDKGI-CHWSQXEVSA-N
XLogP3.09
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55545886
(1R)-N-(1,3-benzothiazol-2-yl)-2,2-dichloro-N-(2-methoxyethyl)-1-methylcyclopropane-1-carboxamide
CID 30797762
N-(1,3-benzothiazol-2-yl)-2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-methoxyethyl)acetamide
CID 55546116
N-(1,3-benzothiazol-2-yl)-2-tert-butylsulfanyl-N-(2-methoxyethyl)acetamide
CID 86921353
N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 34264337
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26115916
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567700
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 30705944
N-(1,3-benzothiazol-2-yl)-2-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78804293
(E)-N-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 2604276
N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylmethoxypropanamide
CID 60546138
N-(1,3-benzothiazol-2-yl)-2-(1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 34261879

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide (CID 99795891) is (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide is COCCN(C(=O)[C@@H]1CCCO[C@@H]1C)c1nc2ccccc2s1.
What is the InChIKey of (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide?
The InChIKey is RMSCWEJHYPDKGI-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12-13(6-5-10-22-12)16(20)19(9-11-21-2)17-18-14-7-3-4-8-15(14)23-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide?
(2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide is sourced from PubChem (CID 99795891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).