2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

C20H19N3O2S — CID 121144744

IUPAC2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H19N3O2S/c24-19(22-15-10-12-23(14-15)20-21-11-13-26-20)17-8-4-5-9-18(17)25-16-6-2-1-3-7-16/h1-9,11,13,15H,10,12,14H2,(H,22,24)
InChIKeyQLVJSEFJJMZRFZ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.94
Rot. Bonds5

About 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (PubChem CID 121144744) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
PubChem CID121144744
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H19N3O2S/c24-19(22-15-10-12-23(14-15)20-21-11-13-26-20)17-8-4-5-9-18(17)25-16-6-2-1-3-7-16/h1-9,11,13,15H,10,12,14H2,(H,22,24)
InChIKeyQLVJSEFJJMZRFZ-UHFFFAOYSA-N
XLogP3.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenoxy)-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144700
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 121144787
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875296
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 121144831
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide
CID 121144632

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (CID 121144744) is 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2nccs2)C1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is QLVJSEFJJMZRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-19(22-15-10-12-23(14-15)20-21-11-13-26-20)17-8-4-5-9-18(17)25-16-6-2-1-3-7-16/h1-9,11,13,15H,10,12,14H2,(H,22,24).
What are the key properties of 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121144744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).