ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H18N2O5S — CID 1120133

IUPACethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)nc1C
InChIInChI=1S/C16H18N2O5S/c1-5-23-15(20)13-9(2)17-16(24-13)18-14(19)12-10(21-3)7-6-8-11(12)22-4/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyNNSTUAYMSOBTLE-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.90
Rot. Bonds6

About ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 1120133) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID1120133
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Nameethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)nc1C
InChIInChI=1S/C16H18N2O5S/c1-5-23-15(20)13-9(2)17-16(24-13)18-14(19)12-10(21-3)7-6-8-11(12)22-4/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyNNSTUAYMSOBTLE-UHFFFAOYSA-N
XLogP2.90
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
Methyl 2-(4-ethoxybenzamido)-4-methylthiazole-5-carboxylate
CID 1877175
Prop-2-enyl 2-[(4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2138172
4-{N-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenyl acetate
CID 2992172
Ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3149826
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 5110663
Methyl 2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 898510
Ethyl 2-({[(3-methoxybenzoyl)amino]carbonothioyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2185566
Ethyl [2-({[(3,5-dimethoxybenzoyl)amino]carbonothioyl}amino)-1,3-thiazol-4-yl]acetate
CID 2218770
Ethyl 2-({[(4-methoxybenzoyl)amino]carbonothioyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 2281593
2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 2335842
Ethyl 2-(4-methoxybenzamido)-4-methylthiazole-5-carboxylate
CID 3146504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 1120133) is ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2c(OC)cccc2OC)nc1C.
What is the InChIKey of ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is NNSTUAYMSOBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-5-23-15(20)13-9(2)17-16(24-13)18-14(19)12-10(21-3)7-6-8-11(12)22-4/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 350.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1120133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).