ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

C16H18N2O3S — CID 912543

IUPACethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H18N2O3S/c1-4-21-14(19)8-13-9-22-16(17-13)18-15(20)12-6-10(2)5-11(3)7-12/h5-7,9H,4,8H2,1-3H3,(H,17,18,20)
InChIKeyOLXFTYYLCKNMQL-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.12
Rot. Bonds5

About ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 912543) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID912543
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nameethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H18N2O3S/c1-4-21-14(19)8-13-9-22-16(17-13)18-15(20)12-6-10(2)5-11(3)7-12/h5-7,9H,4,8H2,1-3H3,(H,17,18,20)
InChIKeyOLXFTYYLCKNMQL-UHFFFAOYSA-N
XLogP3.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
Ethyl (2-{[(3-nitrophenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 814169
3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide
CID 46911384
Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
Ethyl 2-[2-(3-oxo-1,2-benzothiazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 2328662
Ethyl (2-{[(4-methylphenyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 3152628
N-(4-(2,4-Dimethylphenyl)-2-thiazolyl)benzamide
CID 959043
2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2464226
Ethyl 2-benzamido-1,3-thiazole-4-carboxylate
CID 4067950
N-(4-mesitylthiazol-2-yl)benzamide
CID 7918451

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 912543) is ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(C)cc(C)c2)n1.
What is the InChIKey of ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OLXFTYYLCKNMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-4-21-14(19)8-13-9-22-16(17-13)18-15(20)12-6-10(2)5-11(3)7-12/h5-7,9H,4,8H2,1-3H3,(H,17,18,20).
What are the key properties of ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 318.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3,5-dimethylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 912543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).