N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide

C19H25N3O5S — CID 3426870

IUPACN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C19H25N3O5S/c1-12-13(2)28-19(20-12)21-17(23)11-22(8-9-25-3)18(24)15-7-6-14(26-4)10-16(15)27-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,21,23)
InChIKeyNYYDJKKQBZBFNV-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.50
Rot. Bonds9

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide (PubChem CID 3426870) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
PubChem CID3426870
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C19H25N3O5S/c1-12-13(2)28-19(20-12)21-17(23)11-22(8-9-25-3)18(24)15-7-6-14(26-4)10-16(15)27-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,21,23)
InChIKeyNYYDJKKQBZBFNV-UHFFFAOYSA-N
XLogP2.50
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methoxybenzamide
CID 3287313
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4302806
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-4-methoxybenzamide
CID 4638908
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methoxybenzamide
CID 42771484
4-butoxy-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 42771492
2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
CID 4151032
2,4-dimethoxy-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3559563
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 42771489
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 4204800
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 4229838

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide (CID 3426870) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is NYYDJKKQBZBFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-12-13(2)28-19(20-12)21-17(23)11-22(8-9-25-3)18(24)15-7-6-14(26-4)10-16(15)27-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,21,23).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide?
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 407.49 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3426870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).