ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

C19H23N3O5S2 — CID 3238669

IUPACethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C19H23N3O5S2/c1-2-27-17(23)12-15-13-28-19(20-15)21-18(24)14-6-8-16(9-7-14)29(25,26)22-10-4-3-5-11-22/h6-9,13H,2-5,10-12H2,1H3,(H,20,21,24)
InChIKeyFYXTXRVUAMTCLK-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.68
Rot. Bonds7

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

ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 3238669) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID3238669
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Nameethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C19H23N3O5S2/c1-2-27-17(23)12-15-13-28-19(20-15)21-18(24)14-6-8-16(9-7-14)29(25,26)22-10-4-3-5-11-22/h6-9,13H,2-5,10-12H2,1H3,(H,20,21,24)
InChIKeyFYXTXRVUAMTCLK-UHFFFAOYSA-N
XLogP2.68
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 3238669) is ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FYXTXRVUAMTCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-2-27-17(23)12-15-13-28-19(20-15)21-18(24)14-6-8-16(9-7-14)29(25,26)22-10-4-3-5-11-22/h6-9,13H,2-5,10-12H2,1H3,(H,20,21,24).
What are the key properties of ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 437.54 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3238669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).