2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole

C18H18ClFN4S — CID 133476670

IUPAC2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ccc3c(Cl)ccnc3c2F)CC1
InChIInChI=1S/C18H18ClFN4S/c1-12(18-22-6-11-25-18)23-7-9-24(10-8-23)15-3-2-13-14(19)4-5-21-17(13)16(15)20/h2-6,11-12H,7-10H2,1H3
InChIKeyMEHCCZSZYDNOQD-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.37
Rot. Bonds3

About 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476670) has the molecular formula C18H18ClFN4S and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476670
Molecular FormulaC18H18ClFN4S
Molecular Weight376.89 g/mol
Exact Mass376.09
IUPAC Name2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ccc3c(Cl)ccnc3c2F)CC1
InChIInChI=1S/C18H18ClFN4S/c1-12(18-22-6-11-25-18)23-7-9-24(10-8-23)15-3-2-13-14(19)4-5-21-17(13)16(15)20/h2-6,11-12H,7-10H2,1H3
InChIKeyMEHCCZSZYDNOQD-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[(4-phenylthiazol-2-yl)methyl]quinolin-4-amine
CID 71458169
(R)-2-(2,6-dichloropyridin-4-yl)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazole
CID 11634166
N-(3-chloro-4-fluorophenyl)-6-(5-thiazolyl)-4-quinolinamine
CID 118736888
N-[[4-[4-(4-chloro-2-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 44532511
2-(2,6-Difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole
CID 118720253
N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 162674271
N-[[5-[4-(2-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-4-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 44532522
(E)-2-((4-chlorophenyl)(4-styrylquinolin-6-yl)methyl)thiazole
CID 118324044
2-[6-Chloro-4-(trifluoromethyl)quinolin-2-yl]-1,3-thiazole
CID 164676448
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 46704685
2-[(2S)-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99955870
2-(5-Chloro-thiophen-2-yl)-4-(2,3-dihydro-pyrrolo[3,2-c]pyridin-1-yl)-3-fluoro-quinoline
CID 18440644

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476670) is 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2ccc3c(Cl)ccnc3c2F)CC1.
What is the InChIKey of 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is MEHCCZSZYDNOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4S/c1-12(18-22-6-11-25-18)23-7-9-24(10-8-23)15-3-2-13-14(19)4-5-21-17(13)16(15)20/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 376.89 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-chloro-8-fluoroquinolin-7-yl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).