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

C12H14N4O3S2 — CID 29283666

IUPACethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2snnc2CC)n1
InChIInChI=1S/C12H14N4O3S2/c1-3-8-10(21-16-15-8)11(18)14-12-13-7(6-20-12)5-9(17)19-4-2/h6H,3-5H2,1-2H3,(H,13,14,18)
InChIKeyCKHLAHYKEHNZDC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds6

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

ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 29283666) has the molecular formula C12H14N4O3S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID29283666
Molecular FormulaC12H14N4O3S2
Molecular Weight326.40 g/mol
Exact Mass326.05
IUPAC Nameethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2snnc2CC)n1
InChIInChI=1S/C12H14N4O3S2/c1-3-8-10(21-16-15-8)11(18)14-12-13-7(6-20-12)5-9(17)19-4-2/h6H,3-5H2,1-2H3,(H,13,14,18)
InChIKeyCKHLAHYKEHNZDC-UHFFFAOYSA-N
XLogP1.91
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 29283666) is ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2snnc2CC)n1.
What is the InChIKey of ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is CKHLAHYKEHNZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S2/c1-3-8-10(21-16-15-8)11(18)14-12-13-7(6-20-12)5-9(17)19-4-2/h6H,3-5H2,1-2H3,(H,13,14,18).
What are the key properties of ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 326.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-ethylthiadiazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 29283666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).