2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole

C19H18FNO2S — CID 18971787

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3s2)cc1OC1CCCC1
InChIInChI=1S/C19H18FNO2S/c1-22-16-8-6-12(10-17(16)23-14-4-2-3-5-14)19-21-15-11-13(20)7-9-18(15)24-19/h6-11,14H,2-5H2,1H3
InChIKeyNLORQVHIOONCLG-UHFFFAOYSA-N
MW343.42 g/mol
LogP5.43
Rot. Bonds4

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole

2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole (PubChem CID 18971787) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole
PubChem CID18971787
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3s2)cc1OC1CCCC1
InChIInChI=1S/C19H18FNO2S/c1-22-16-8-6-12(10-17(16)23-14-4-2-3-5-14)19-21-15-11-13(20)7-9-18(15)24-19/h6-11,14H,2-5H2,1H3
InChIKeyNLORQVHIOONCLG-UHFFFAOYSA-N
XLogP5.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole (CID 18971787) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole is COc1ccc(-c2nc3cc(F)ccc3s2)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole?
The InChIKey is NLORQVHIOONCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-22-16-8-6-12(10-17(16)23-14-4-2-3-5-14)19-21-15-11-13(20)7-9-18(15)24-19/h6-11,14H,2-5H2,1H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole?
2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole has a molecular weight of 343.42 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluoro-1,3-benzothiazole is sourced from PubChem (CID 18971787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).