2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole

C17H16N2O2S — CID 126774127

IUPAC2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole
SMILESc1cnc2c(OCc3csc(C4CCCO4)n3)cccc2c1
InChIInChI=1S/C17H16N2O2S/c1-4-12-5-2-8-18-16(12)14(6-1)21-10-13-11-22-17(19-13)15-7-3-9-20-15/h1-2,4-6,8,11,15H,3,7,9-10H2
InChIKeyPDSIOMHQTYQQDS-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.12
Rot. Bonds4

About 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole

2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole (PubChem CID 126774127) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole
PubChem CID126774127
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole
SMILESc1cnc2c(OCc3csc(C4CCCO4)n3)cccc2c1
InChIInChI=1S/C17H16N2O2S/c1-4-12-5-2-8-18-16(12)14(6-1)21-10-13-11-22-17(19-13)15-7-3-9-20-15/h1-2,4-6,8,11,15H,3,7,9-10H2
InChIKeyPDSIOMHQTYQQDS-UHFFFAOYSA-N
XLogP4.12
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2-Chloro-5-thiazolyl)methoxy]quinoline
CID 1488829
5-(8-((3,5-Dichloropyridin-4-yl)methoxy)-2-methylquinolin-4-yl)thiazole
CID 44189792
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-thiazol-2-yl-quinoline
CID 44190165
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(4-methyl-thiazol-5-yl)-quinoline
CID 44190166
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(5-methyl-thiazol-4-yl)-quinoline
CID 44190167
4-(4-Chloro-thiazol-5-yl)-8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-quinoline
CID 44190266
8-(3,5-Dichloro-pyridin-4-ylmethoxy)-2-methyl-4-thiazol-4-yl-quinoline
CID 44190267
4-(5-Chloro-thiazol-4-yl)-8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-quinoline
CID 44190268
2-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-4-(pyridin-4-yl)-1,3-thiazole
CID 23646949
2-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-4-(pyridin-3-yl)-1,3-thiazole
CID 23646950
(4-Methoxyphenyl)-(4-quinolin-3-yl-1,3-thiazol-2-yl)methanol
CID 46948094
2-quinolin-8-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 2094807

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole (CID 126774127) is 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole is c1cnc2c(OCc3csc(C4CCCO4)n3)cccc2c1.
What is the InChIKey of 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole?
The InChIKey is PDSIOMHQTYQQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-4-12-5-2-8-18-16(12)14(6-1)21-10-13-11-22-17(19-13)15-7-3-9-20-15/h1-2,4-6,8,11,15H,3,7,9-10H2.
What are the key properties of 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole?
2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole has a molecular weight of 312.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-4-(quinolin-8-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 126774127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).