[2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

C20H17F2N3OS — CID 56677264

IUPAC[2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1
InChIInChI=1S/C20H17F2N3OS/c1-12-5-17(13-6-14(21)8-15(22)7-13)24-9-16(12)18-3-2-4-25(18)20(26)19-10-23-11-27-19/h5-11,18H,2-4H2,1H3
InChIKeyMYLCEWGNUDSKAU-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.77
Rot. Bonds3

About [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone

[2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 56677264) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID56677264
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name[2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1
InChIInChI=1S/C20H17F2N3OS/c1-12-5-17(13-6-14(21)8-15(22)7-13)24-9-16(12)18-3-2-4-25(18)20(26)19-10-23-11-27-19/h5-11,18H,2-4H2,1H3
InChIKeyMYLCEWGNUDSKAU-UHFFFAOYSA-N
XLogP4.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 56677264) is [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is Cc1cc(-c2cc(F)cc(F)c2)ncc1C1CCCN1C(=O)c1cncs1.
What is the InChIKey of [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is MYLCEWGNUDSKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c1-12-5-17(13-6-14(21)8-15(22)7-13)24-9-16(12)18-3-2-4-25(18)20(26)19-10-23-11-27-19/h5-11,18H,2-4H2,1H3.
What are the key properties of [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 385.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3,5-difluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56677264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).