[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone

C19H19F2N5OS — CID 165419680

IUPAC[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESNc1nc(C2(c3ccccc3)CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)cs1
InChIInChI=1S/C19H19F2N5OS/c20-16(21)13-10-14(25-24-13)17(27)26-8-6-19(7-9-26,12-4-2-1-3-5-12)15-11-28-18(22)23-15/h1-5,10-11,16H,6-9H2,(H2,22,23)(H,24,25)
InChIKeyGNENFAIDUHKWPP-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.61
Rot. Bonds4

About [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone (PubChem CID 165419680) has the molecular formula C19H19F2N5OS and a molecular weight of 403.46 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
PubChem CID165419680
Molecular FormulaC19H19F2N5OS
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
SMILESNc1nc(C2(c3ccccc3)CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)cs1
InChIInChI=1S/C19H19F2N5OS/c20-16(21)13-10-14(25-24-13)17(27)26-8-6-19(7-9-26,12-4-2-1-3-5-12)15-11-28-18(22)23-15/h1-5,10-11,16H,6-9H2,(H2,22,23)(H,24,25)
InChIKeyGNENFAIDUHKWPP-UHFFFAOYSA-N
XLogP3.61
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 164691216
(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]-(2,4-difluorophenyl)methanone
CID 165419776
[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]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 166599615
(2S)-2-amino-1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 165422793
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 165420195
4-(1-morpholin-4-ylsulfonyl-4-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 164696475
methyl 2-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidine-1-carboxylate
CID 165421768

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone (CID 165419680) is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone is Nc1nc(C2(c3ccccc3)CCN(C(=O)c3cc(C(F)F)[nH]n3)CC2)cs1.
What is the InChIKey of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is GNENFAIDUHKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5OS/c20-16(21)13-10-14(25-24-13)17(27)26-8-6-19(7-9-26,12-4-2-1-3-5-12)15-11-28-18(22)23-15/h1-5,10-11,16H,6-9H2,(H2,22,23)(H,24,25).
What are the key properties of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone?
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 403.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 165419680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).