4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole

C16H19NO2S — CID 139664304

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2ncsc2C)cc1OC1CCCC1
InChIInChI=1S/C16H19NO2S/c1-11-16(17-10-20-11)12-7-8-14(18-2)15(9-12)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3
InChIKeyUKAQZQFAXSUVAH-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.45
Rot. Bonds4

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole

4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole (PubChem CID 139664304) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
PubChem CID139664304
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2ncsc2C)cc1OC1CCCC1
InChIInChI=1S/C16H19NO2S/c1-11-16(17-10-20-11)12-7-8-14(18-2)15(9-12)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3
InChIKeyUKAQZQFAXSUVAH-UHFFFAOYSA-N
XLogP4.45
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole (CID 139664304) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole is COc1ccc(-c2ncsc2C)cc1OC1CCCC1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole?
The InChIKey is UKAQZQFAXSUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-16(17-10-20-11)12-7-8-14(18-2)15(9-12)19-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole?
4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole has a molecular weight of 289.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 139664304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).