ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate

C14H15N3O3S — CID 107810524

IUPACethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C14H15N3O3S/c1-2-20-12(18)7-11-8-21-14(17-11)16-10-5-3-4-9(6-10)13(15)19/h3-6,8H,2,7H2,1H3,(H2,15,19)(H,16,17)
InChIKeyLSYAKTKHTGKUGJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.09
Rot. Bonds6

About ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 107810524) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
PubChem CID107810524
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C14H15N3O3S/c1-2-20-12(18)7-11-8-21-14(17-11)16-10-5-3-4-9(6-10)13(15)19/h3-6,8H,2,7H2,1H3,(H2,15,19)(H,16,17)
InChIKeyLSYAKTKHTGKUGJ-UHFFFAOYSA-N
XLogP2.09
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-(1,3-benzothiazol-6-ylamino)-1,3-thiazol-4-yl]acetate
CID 107806769
ethyl 2-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]acetate
CID 84564759
ethyl 2-[2-(4-chloro-3-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80575899
ethyl 2-[2-(3,4,5-trifluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574528
ethyl 2-[2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 24680091
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-[2-(4-methylsulfanylanilino)-1,3-thiazol-4-yl]acetate
CID 80575413
ethyl 2-[2-(4-propylanilino)-1,3-thiazol-4-yl]acetate
CID 80574423
ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 107580572
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate (CID 107810524) is ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2cccc(C(N)=O)c2)n1.
What is the InChIKey of ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is LSYAKTKHTGKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-20-12(18)7-11-8-21-14(17-11)16-10-5-3-4-9(6-10)13(15)19/h3-6,8H,2,7H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 305.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 107810524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).