[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C16H18N2O2S — CID 46065710

IUPAC[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCCC3)cs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-2-20-13-7-5-12(6-8-13)15-17-14(11-21-15)16(19)18-9-3-4-10-18/h5-8,11H,2-4,9-10H2,1H3
InChIKeyDMFSBMBHIWXSAU-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.44
Rot. Bonds4

About [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 46065710) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID46065710
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(-c2nc(C(=O)N3CCCC3)cs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-2-20-13-7-5-12(6-8-13)15-17-14(11-21-15)16(19)18-9-3-4-10-18/h5-8,11H,2-4,9-10H2,1H3
InChIKeyDMFSBMBHIWXSAU-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 46065710) is [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is CCOc1ccc(-c2nc(C(=O)N3CCCC3)cs2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DMFSBMBHIWXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-20-13-7-5-12(6-8-13)15-17-14(11-21-15)16(19)18-9-3-4-10-18/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 302.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46065710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).