(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate

C17H20N2O3S2 — CID 86831853

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate
SMILESCCc1nc(COC(=O)C2CCCN2C(=O)Cc2cccs2)cs1
InChIInChI=1S/C17H20N2O3S2/c1-2-15-18-12(11-24-15)10-22-17(21)14-6-3-7-19(14)16(20)9-13-5-4-8-23-13/h4-5,8,11,14H,2-3,6-7,9-10H2,1H3
InChIKeyHYOZUXNKSVTEAY-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.04
Rot. Bonds6

About (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate

(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate (PubChem CID 86831853) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate
PubChem CID86831853
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate
SMILESCCc1nc(COC(=O)C2CCCN2C(=O)Cc2cccs2)cs1
InChIInChI=1S/C17H20N2O3S2/c1-2-15-18-12(11-24-15)10-22-17(21)14-6-3-7-19(14)16(20)9-13-5-4-8-23-13/h4-5,8,11,14H,2-3,6-7,9-10H2,1H3
InChIKeyHYOZUXNKSVTEAY-UHFFFAOYSA-N
XLogP3.04
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate (CID 86831853) is (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate is CCc1nc(COC(=O)C2CCCN2C(=O)Cc2cccs2)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate?
The InChIKey is HYOZUXNKSVTEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-15-18-12(11-24-15)10-22-17(21)14-6-3-7-19(14)16(20)9-13-5-4-8-23-13/h4-5,8,11,14H,2-3,6-7,9-10H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate?
(2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl 1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 86831853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).