1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol

C14H11ClN2OS — CID 107124923

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1ncc(Cl)s1
InChIInChI=1S/C14H11ClN2OS/c15-13-8-16-14(19-13)12(18)7-10-6-5-9-3-1-2-4-11(9)17-10/h1-6,8,12,18H,7H2
InChIKeyLWDPZVWBJKAYEX-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.62
Rot. Bonds3

About 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol

1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol (PubChem CID 107124923) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol
PubChem CID107124923
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1ncc(Cl)s1
InChIInChI=1S/C14H11ClN2OS/c15-13-8-16-14(19-13)12(18)7-10-6-5-9-3-1-2-4-11(9)17-10/h1-6,8,12,18H,7H2
InChIKeyLWDPZVWBJKAYEX-UHFFFAOYSA-N
XLogP3.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
CID 107967248
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
CID 80642058
1-(5-chloro-1,3-thiazol-2-yl)-2-pyridin-3-ylethanol
CID 107124874
1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine
CID 62277076
1-(2-methyl-4-pyridinyl)-2-quinolin-2-ylethanol
CID 106756244
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 107124921
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 2778952
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
(2R,3R)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol
CID 97087782
(2S,3S)-3-[(2R)-1-quinolin-2-ylpropan-2-yl]sulfanylbutan-2-ol
CID 98792339
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol (CID 107124923) is 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol is OC(Cc1ccc2ccccc2n1)c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol?
The InChIKey is LWDPZVWBJKAYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-13-8-16-14(19-13)12(18)7-10-6-5-9-3-1-2-4-11(9)17-10/h1-6,8,12,18H,7H2.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol?
1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol has a molecular weight of 290.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol is sourced from PubChem (CID 107124923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).