ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate

C14H15N3O3S2 — CID 2817781

IUPACethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2ccccn2)n1
InChIInChI=1S/C14H15N3O3S2/c1-2-20-13(19)7-10-8-22-14(16-10)17-11(18)9-21-12-5-3-4-6-15-12/h3-6,8H,2,7,9H2,1H3,(H,16,17,18)
InChIKeyNBSKYQVNMQMMOS-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.37
Rot. Bonds7

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

ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 2817781) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID2817781
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Nameethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CSc2ccccn2)n1
InChIInChI=1S/C14H15N3O3S2/c1-2-20-13(19)7-10-8-22-14(16-10)17-11(18)9-21-12-5-3-4-6-15-12/h3-6,8H,2,7,9H2,1H3,(H,16,17,18)
InChIKeyNBSKYQVNMQMMOS-UHFFFAOYSA-N
XLogP2.37
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 2817781) is ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CSc2ccccn2)n1.
What is the InChIKey of ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NBSKYQVNMQMMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-2-20-13(19)7-10-8-22-14(16-10)17-11(18)9-21-12-5-3-4-6-15-12/h3-6,8H,2,7,9H2,1H3,(H,16,17,18).
What are the key properties of ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 337.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2817781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).