2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide

C19H23N3O2S — CID 70743090

IUPAC2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O2S/c23-19(21-15-11-24-12-17(15)22-8-4-5-9-22)16-13-25-18(20-16)10-14-6-2-1-3-7-14/h1-3,6-7,13,15,17H,4-5,8-12H2,(H,21,23)/t15-,17-/m0/s1
InChIKeyIHYISASMAQLZKO-RDJZCZTQSA-N
MW357.48 g/mol
LogP2.33
Rot. Bonds5

About 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 70743090) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID70743090
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O2S/c23-19(21-15-11-24-12-17(15)22-8-4-5-9-22)16-13-25-18(20-16)10-14-6-2-1-3-7-14/h1-3,6-7,13,15,17H,4-5,8-12H2,(H,21,23)/t15-,17-/m0/s1
InChIKeyIHYISASMAQLZKO-RDJZCZTQSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide (CID 70743090) is 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IHYISASMAQLZKO-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-19(21-15-11-24-12-17(15)22-8-4-5-9-22)16-13-25-18(20-16)10-14-6-2-1-3-7-14/h1-3,6-7,13,15,17H,4-5,8-12H2,(H,21,23)/t15-,17-/m0/s1.
What are the key properties of 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70743090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).