(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C17H15ClN4OS — CID 37026329

IUPAC(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c2cccnc12)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H15ClN4OS/c18-14-4-3-13(15-12(14)2-1-5-19-15)16(23)21-7-9-22(10-8-21)17-20-6-11-24-17/h1-6,11H,7-10H2
InChIKeyWTCISNMAPPKBLG-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.31
Rot. Bonds2

About (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 37026329) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID37026329
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c2cccnc12)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H15ClN4OS/c18-14-4-3-13(15-12(14)2-1-5-19-15)16(23)21-7-9-22(10-8-21)17-20-6-11-24-17/h1-6,11H,7-10H2
InChIKeyWTCISNMAPPKBLG-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
(2-propan-2-ylsulfanyl-3-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47039184
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
(3-amino-2-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 104740876
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 18138912
(6-chloropyridazin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 60858865
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
CID 120818978
(5-bromo-2-hydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 41433639

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 37026329) is (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)c2cccnc12)N1CCN(c2nccs2)CC1.
What is the InChIKey of (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is WTCISNMAPPKBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-14-4-3-13(15-12(14)2-1-5-19-15)16(23)21-7-9-22(10-8-21)17-20-6-11-24-17/h1-6,11H,7-10H2.
What are the key properties of (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 358.85 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 37026329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).