(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C19H18FN5OS — CID 53141383

IUPAC(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1c(-c2ccncc2)nsc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FN5OS/c20-14-1-3-15(4-2-14)24-9-11-25(12-10-24)19(26)18-16(21)17(23-27-18)13-5-7-22-8-6-13/h1-8H,9-12,21H2
InChIKeyPZXXNOMSBOAVOR-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.89
Rot. Bonds3

About (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 53141383) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID53141383
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC Name(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1c(-c2ccncc2)nsc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18FN5OS/c20-14-1-3-15(4-2-14)24-9-11-25(12-10-24)19(26)18-16(21)17(23-27-18)13-5-7-22-8-6-13/h1-8H,9-12,21H2
InChIKeyPZXXNOMSBOAVOR-UHFFFAOYSA-N
XLogP2.89
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53141395
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
(2-amino-5-fluoro-3-nitrophenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 51089852
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38029328
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53141256
[4-(4-chlorophenyl)piperazin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 22576732
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 78897651
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 53141383) is (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Nc1c(-c2ccncc2)nsc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is PZXXNOMSBOAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c20-14-1-3-15(4-2-14)24-9-11-25(12-10-24)19(26)18-16(21)17(23-27-18)13-5-7-22-8-6-13/h1-8H,9-12,21H2.
What are the key properties of (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 383.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53141383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).