2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide

C17H20N2O3S — CID 24898272

IUPAC2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccccc1C(=O)/N=c1/sc(C)cn1CC1CCCO1
InChIInChI=1S/C17H20N2O3S/c1-12-10-19(11-13-6-5-9-22-13)17(23-12)18-16(20)14-7-3-4-8-15(14)21-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3/b18-17+
InChIKeyVERJLJWOTCLREF-ISLYRVAYSA-N
MW332.43 g/mol
LogP2.79
Rot. Bonds4

About 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide

2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide (PubChem CID 24898272) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide
PubChem CID24898272
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCOc1ccccc1C(=O)/N=c1/sc(C)cn1CC1CCCO1
InChIInChI=1S/C17H20N2O3S/c1-12-10-19(11-13-6-5-9-22-13)17(23-12)18-16(20)14-7-3-4-8-15(14)21-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3/b18-17+
InChIKeyVERJLJWOTCLREF-ISLYRVAYSA-N
XLogP2.79
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 24899436
N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-cyano-2-methoxybenzamide
CID 68623194
1-(2,2-dimethylpropyl)-3-[5-methyl-3-(oxan-2-ylmethyl)-1,3-thiazol-2-ylidene]urea
CID 68621603
5-chloro-N-[3-(1,3-dioxol-2-ylmethyl)-5-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 141240164
N-[4,5-dimethyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]-2-ethoxypyridine-3-carboxamide
CID 24899183
N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-chloro-2-propan-2-yloxybenzamide
CID 68623943
2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-1-(2-methoxyphenyl)ethanone
CID 25348283
N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-2-[[(2S)-oxolan-2-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 68555446
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-methoxybenzoate
CID 2653723
N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-2-[2-(oxolan-2-yl)ethoxy]-5-(trifluoromethyl)benzamide
CID 71205507
2-acetamidooxy-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-(trifluoromethyl)benzamide
CID 87347869
2,4-dichloro-N-[5-methyl-3-[[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 93305882

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide (CID 24898272) is 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide is COc1ccccc1C(=O)/N=c1/sc(C)cn1CC1CCCO1.
What is the InChIKey of 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is VERJLJWOTCLREF-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-10-19(11-13-6-5-9-22-13)17(23-12)18-16(20)14-7-3-4-8-15(14)21-2/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3/b18-17+.
What are the key properties of 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide?
2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-methyl-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 24898272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).