ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate

C10H14N2O2S — CID 62004993

IUPACethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1nccs1
InChIInChI=1S/C10H14N2O2S/c1-2-14-9(13)8-4-3-6-12(8)10-11-5-7-15-10/h5,7-8H,2-4,6H2,1H3
InChIKeyNVMZTGKMPXUXKC-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.67
Rot. Bonds3

About ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate

ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate (PubChem CID 62004993) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
PubChem CID62004993
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nameethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1nccs1
InChIInChI=1S/C10H14N2O2S/c1-2-14-9(13)8-4-3-6-12(8)10-11-5-7-15-10/h5,7-8H,2-4,6H2,1H3
InChIKeyNVMZTGKMPXUXKC-UHFFFAOYSA-N
XLogP1.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate (CID 62004993) is ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1nccs1.
What is the InChIKey of ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is NVMZTGKMPXUXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-14-9(13)8-4-3-6-12(8)10-11-5-7-15-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate?
ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62004993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).