2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole

C18H18N2OS — CID 71882754

IUPAC2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole
SMILESc1cnc2ccc(OCc3csc(C4CCCC4)n3)cc2c1
InChIInChI=1S/C18H18N2OS/c1-2-5-13(4-1)18-20-15(12-22-18)11-21-16-7-8-17-14(10-16)6-3-9-19-17/h3,6-10,12-13H,1-2,4-5,11H2
InChIKeyKMGBHPYQPZNPGI-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.93
Rot. Bonds4

About 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole

2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole (PubChem CID 71882754) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole
PubChem CID71882754
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole
SMILESc1cnc2ccc(OCc3csc(C4CCCC4)n3)cc2c1
InChIInChI=1S/C18H18N2OS/c1-2-5-13(4-1)18-20-15(12-22-18)11-21-16-7-8-17-14(10-16)6-3-9-19-17/h3,6-10,12-13H,1-2,4-5,11H2
InChIKeyKMGBHPYQPZNPGI-UHFFFAOYSA-N
XLogP4.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole (CID 71882754) is 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole is c1cnc2ccc(OCc3csc(C4CCCC4)n3)cc2c1.
What is the InChIKey of 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole?
The InChIKey is KMGBHPYQPZNPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-2-5-13(4-1)18-20-15(12-22-18)11-21-16-7-8-17-14(10-16)6-3-9-19-17/h3,6-10,12-13H,1-2,4-5,11H2.
What are the key properties of 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole?
2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole has a molecular weight of 310.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(quinolin-6-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 71882754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).