[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone

C19H17FN2OS — CID 1430047

IUPAC[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H17FN2OS/c20-15-5-3-4-14(12-15)19(23)22-10-8-13(9-11-22)18-21-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2
InChIKeyDHZQEHXRYYNGPW-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.46
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 1430047) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID1430047
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H17FN2OS/c20-15-5-3-4-14(12-15)19(23)22-10-8-13(9-11-22)18-21-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2
InChIKeyDHZQEHXRYYNGPW-UHFFFAOYSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone (CID 1430047) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is DHZQEHXRYYNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c20-15-5-3-4-14(12-15)19(23)22-10-8-13(9-11-22)18-21-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone?
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 340.42 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 1430047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).