[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C17H19F2N3O2S — CID 163346253

IUPAC[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2nc3ccccc3s2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H19F2N3O2S/c18-17(19)5-7-21(8-6-17)15(23)13-11-22(9-10-24-13)16-20-12-3-1-2-4-14(12)25-16/h1-4,13H,5-11H2
InChIKeyZUDBCDWQTNQSIY-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.76
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163346253) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163346253
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2nc3ccccc3s2)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H19F2N3O2S/c18-17(19)5-7-21(8-6-17)15(23)13-11-22(9-10-24-13)16-20-12-3-1-2-4-14(12)25-16/h1-4,13H,5-11H2
InChIKeyZUDBCDWQTNQSIY-UHFFFAOYSA-N
XLogP2.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 90610083
[4-(6-bromo-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981583
4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine
CID 19364528
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163345700
(4,4-difluoropiperidin-1-yl)-[4-(6-methylpyrazin-2-yl)morpholin-2-yl]methanone
CID 163345706
(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
CID 163346041
[1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435526
(4,4-difluoropiperidin-1-yl)-[1-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methanone
CID 165433200
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
[4-(1,3-benzoxazol-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800579
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981539
4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine
CID 86774924

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163346253) is [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CN(c2nc3ccccc3s2)CCO1)N1CCC(F)(F)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is ZUDBCDWQTNQSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c18-17(19)5-7-21(8-6-17)15(23)13-11-22(9-10-24-13)16-20-12-3-1-2-4-14(12)25-16/h1-4,13H,5-11H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 367.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163346253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).