ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate

C17H19N3O5S2 — CID 1185427

IUPACethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C17H19N3O5S2/c1-2-25-16(22)14-11-26-17(18-14)19-15(21)12-5-7-13(8-6-12)27(23,24)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,21)
InChIKeyZDWRAQZVTDDZSK-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.36
Rot. Bonds6

About ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 1185427) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID1185427
Molecular FormulaC17H19N3O5S2
Molecular Weight409.49 g/mol
Exact Mass409.08
IUPAC Nameethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C17H19N3O5S2/c1-2-25-16(22)14-11-26-17(18-14)19-15(21)12-5-7-13(8-6-12)27(23,24)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,21)
InChIKeyZDWRAQZVTDDZSK-UHFFFAOYSA-N
XLogP2.36
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 1185427) is ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1.
What is the InChIKey of ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ZDWRAQZVTDDZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c1-2-25-16(22)14-11-26-17(18-14)19-15(21)12-5-7-13(8-6-12)27(23,24)20-9-3-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,18,19,21).
What are the key properties of ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1185427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).