[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

C25H23FN4O2S — CID 155153285

IUPAC[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN4O2S/c1-32-23-20(12-18(14-28-23)17-4-7-21-22(13-17)33-25(27)29-21)24(31)30-10-8-16(9-11-30)15-2-5-19(26)6-3-15/h2-7,12-14,16H,8-11H2,1H3,(H2,27,29)
InChIKeyDSZYMSFNAAQNFD-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.11
Rot. Bonds4

About [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 155153285) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID155153285
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESCOc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN4O2S/c1-32-23-20(12-18(14-28-23)17-4-7-21-22(13-17)33-25(27)29-21)24(31)30-10-8-16(9-11-30)15-2-5-19(26)6-3-15/h2-7,12-14,16H,8-11H2,1H3,(H2,27,29)
InChIKeyDSZYMSFNAAQNFD-UHFFFAOYSA-N
XLogP5.11
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (CID 155153285) is [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is DSZYMSFNAAQNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c1-32-23-20(12-18(14-28-23)17-4-7-21-22(13-17)33-25(27)29-21)24(31)30-10-8-16(9-11-30)15-2-5-19(26)6-3-15/h2-7,12-14,16H,8-11H2,1H3,(H2,27,29).
What are the key properties of [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 462.55 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 155153285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).