[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone

C21H19F2N3OS — CID 165419776

IUPAC[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
SMILESNc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(F)cc3F)CC2)cs1
InChIInChI=1S/C21H19F2N3OS/c22-15-6-7-16(17(23)12-15)19(27)26-10-8-21(9-11-26,14-4-2-1-3-5-14)18-13-28-20(24)25-18/h1-7,12-13H,8-11H2,(H2,24,25)
InChIKeyZZIDIBLGSQEBTQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.23
Rot. Bonds3

About [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 165419776) has the molecular formula C21H19F2N3OS and a molecular weight of 399.47 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID165419776
Molecular FormulaC21H19F2N3OS
Molecular Weight399.47 g/mol
Exact Mass399.12
IUPAC Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
SMILESNc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(F)cc3F)CC2)cs1
InChIInChI=1S/C21H19F2N3OS/c22-15-6-7-16(17(23)12-15)19(27)26-10-8-21(9-11-26,14-4-2-1-3-5-14)18-13-28-20(24)25-18/h1-7,12-13H,8-11H2,(H2,24,25)
InChIKeyZZIDIBLGSQEBTQ-UHFFFAOYSA-N
XLogP4.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165426176
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
CID 165419680
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 164691216
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 165418490
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 166599615
(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 16668261
5-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1-methylpiperazin-2-one;dihydrochloride
CID 166599817
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-[2-methoxyethyl(methyl)amino]ethanone
CID 165427482
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 165426837

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone (CID 165419776) is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone is Nc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(F)cc3F)CC2)cs1.
What is the InChIKey of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is ZZIDIBLGSQEBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3OS/c22-15-6-7-16(17(23)12-15)19(27)26-10-8-21(9-11-26,14-4-2-1-3-5-14)18-13-28-20(24)25-18/h1-7,12-13H,8-11H2,(H2,24,25).
What are the key properties of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone?
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 399.47 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 165419776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).