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

C14H16N2O3S2 — CID 19585413

IUPACethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(C)c(C)s2)n1
InChIInChI=1S/C14H16N2O3S2/c1-4-19-12(17)6-10-7-20-14(15-10)16-13(18)11-5-8(2)9(3)21-11/h5,7H,4,6H2,1-3H3,(H,15,16,18)
InChIKeyYSFXXIRGTGQGPZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.18
Rot. Bonds5

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

ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 19585413) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID19585413
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Nameethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(C)c(C)s2)n1
InChIInChI=1S/C14H16N2O3S2/c1-4-19-12(17)6-10-7-20-14(15-10)16-13(18)11-5-8(2)9(3)21-11/h5,7H,4,6H2,1-3H3,(H,15,16,18)
InChIKeyYSFXXIRGTGQGPZ-UHFFFAOYSA-N
XLogP3.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 1225713
Ethyl 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 741416
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 786375
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1246066
Ethyl 2-[2-(3-oxo-1,2-benzothiazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 2328662
5-ethyl-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2438682
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2458204
Ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 787333
N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamide
CID 2449811
Ethyl (2-{[(4-methylphenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 702014
Methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 2809560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 19585413) is ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(C)c(C)s2)n1.
What is the InChIKey of ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is YSFXXIRGTGQGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-4-19-12(17)6-10-7-20-14(15-10)16-13(18)11-5-8(2)9(3)21-11/h5,7H,4,6H2,1-3H3,(H,15,16,18).
What are the key properties of ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 324.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 19585413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).