[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone

C21H28FN5OS — CID 53161140

IUPAC[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)CC1
InChIInChI=1S/C21H28FN5OS/c1-2-7-24-8-10-26(11-9-24)20(28)18-16-29-21(23-18)27-14-12-25(13-15-27)19-6-4-3-5-17(19)22/h3-6,16H,2,7-15H2,1H3
InChIKeyZXCFPVCIDLSRBB-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.78
Rot. Bonds5

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

[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 53161140) has the molecular formula C21H28FN5OS and a molecular weight of 417.55 g/mol. Its IUPAC name is [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID53161140
Molecular FormulaC21H28FN5OS
Molecular Weight417.55 g/mol
Exact Mass417.20
IUPAC Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)CC1
InChIInChI=1S/C21H28FN5OS/c1-2-7-24-8-10-26(11-9-24)20(28)18-16-29-21(23-18)27-14-12-25(13-15-27)19-6-4-3-5-17(19)22/h3-6,16H,2,7-15H2,1H3
InChIKeyZXCFPVCIDLSRBB-UHFFFAOYSA-N
XLogP2.78
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64543814
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 36840265
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876950
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840291
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840289
N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840295
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510179
(2-amino-1,3-oxazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 110854582
N-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42851037

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone (CID 53161140) is [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)CC1.
What is the InChIKey of [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is ZXCFPVCIDLSRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5OS/c1-2-7-24-8-10-26(11-9-24)20(28)18-16-29-21(23-18)27-14-12-25(13-15-27)19-6-4-3-5-17(19)22/h3-6,16H,2,7-15H2,1H3.
What are the key properties of [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone?
[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 417.55 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 53161140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).