2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C18H22N2O3S — CID 95898891

IUPAC2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1nc(C)cs1)C[C@@H]1CCCO1
InChIInChI=1S/C18H22N2O3S/c1-13-12-24-17(19-13)11-20(10-14-6-5-9-23-14)18(21)15-7-3-4-8-16(15)22-2/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3/t14-/m0/s1
InChIKeyAJYSOVKQNKLXPA-AWEZNQCLSA-N
MW346.45 g/mol
LogP3.28
Rot. Bonds6

About 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 95898891) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID95898891
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)N(Cc1nc(C)cs1)C[C@@H]1CCCO1
InChIInChI=1S/C18H22N2O3S/c1-13-12-24-17(19-13)11-20(10-14-6-5-9-23-14)18(21)15-7-3-4-8-16(15)22-2/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3/t14-/m0/s1
InChIKeyAJYSOVKQNKLXPA-AWEZNQCLSA-N
XLogP3.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 95782280
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 51084081
2-[(2-chlorophenyl)methoxy]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95782276
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
2,3-dimethoxy-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125173420
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45199784
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
N-[(2-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 55968768
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 42793196
5-amino-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120623170
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 95898891) is 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is COc1ccccc1C(=O)N(Cc1nc(C)cs1)C[C@@H]1CCCO1.
What is the InChIKey of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is AJYSOVKQNKLXPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-12-24-17(19-13)11-20(10-14-6-5-9-23-14)18(21)15-7-3-4-8-16(15)22-2/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 95898891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).