ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate

C14H16N2O3S2 — CID 61021131

IUPACethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H16N2O3S2/c1-3-16(7-12(17)19-4-2)14(18)11-9-21-13(15-11)10-5-6-20-8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyFOMYONSWFSRGCQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.90
Rot. Bonds6

About ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate

ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate (PubChem CID 61021131) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
PubChem CID61021131
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Nameethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H16N2O3S2/c1-3-16(7-12(17)19-4-2)14(18)11-9-21-13(15-11)10-5-6-20-8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyFOMYONSWFSRGCQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61383522
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 37003412
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38823864
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
2-[3-[bis(2-ethoxy-2-oxoethyl)amino]-4-methylphenyl]-1,3-thiazole-4-carboxylic acid
CID 66880463
ethyl 2-(2-fluoro-N-(2-phenyl-1,3-thiazole-4-carbonyl)anilino)acetate
CID 99609548
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 134012565
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206590
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51217435

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate (CID 61021131) is ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The InChIKey is FOMYONSWFSRGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-3-16(7-12(17)19-4-2)14(18)11-9-21-13(15-11)10-5-6-20-8-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate has a molecular weight of 324.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 61021131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).