[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

C19H16ClN3OS — CID 56673924

IUPAC[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C19H16ClN3OS/c20-15-4-1-3-13(9-15)16-7-6-14(10-22-16)17-5-2-8-23(17)19(24)18-11-21-12-25-18/h1,3-4,6-7,9-12,17H,2,5,8H2
InChIKeyRKXWYPUEOQNZBV-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.84
Rot. Bonds3

About [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 56673924) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID56673924
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C19H16ClN3OS/c20-15-4-1-3-13(9-15)16-7-6-14(10-22-16)17-5-2-8-23(17)19(24)18-11-21-12-25-18/h1,3-4,6-7,9-12,17H,2,5,8H2
InChIKeyRKXWYPUEOQNZBV-UHFFFAOYSA-N
XLogP4.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 56673924) is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is RKXWYPUEOQNZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-15-4-1-3-13(9-15)16-7-6-14(10-22-16)17-5-2-8-23(17)19(24)18-11-21-12-25-18/h1,3-4,6-7,9-12,17H,2,5,8H2.
What are the key properties of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 369.88 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56673924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).