[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C17H23F2N3O2S — CID 163349291

IUPAC[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(Cc2csc(C3CC3)n2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H23F2N3O2S/c18-17(19)3-5-22(6-4-17)16(23)14-10-21(7-8-24-14)9-13-11-25-15(20-13)12-1-2-12/h11-12,14H,1-10H2
InChIKeyNYLXYCLGYGNZBA-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.48
Rot. Bonds4

About [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163349291) has the molecular formula C17H23F2N3O2S and a molecular weight of 371.45 g/mol. Its IUPAC name is [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163349291
Molecular FormulaC17H23F2N3O2S
Molecular Weight371.45 g/mol
Exact Mass371.15
IUPAC Name[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(Cc2csc(C3CC3)n2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H23F2N3O2S/c18-17(19)3-5-22(6-4-17)16(23)14-10-21(7-8-24-14)9-13-11-25-15(20-13)12-1-2-12/h11-12,14H,1-10H2
InChIKeyNYLXYCLGYGNZBA-UHFFFAOYSA-N
XLogP2.48
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163349291) is [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CN(Cc2csc(C3CC3)n2)CCO1)N1CCC(F)(F)CC1.
What is the InChIKey of [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is NYLXYCLGYGNZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2S/c18-17(19)3-5-22(6-4-17)16(23)14-10-21(7-8-24-14)9-13-11-25-15(20-13)12-1-2-12/h11-12,14H,1-10H2.
What are the key properties of [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 371.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163349291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).