4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole

C15H16BrNOS — CID 104612119

IUPAC4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole
SMILESCOC1(c2nc(-c3ccccc3Br)cs2)CCCC1
InChIInChI=1S/C15H16BrNOS/c1-18-15(8-4-5-9-15)14-17-13(10-19-14)11-6-2-3-7-12(11)16/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyBWIJXQUFYHHCQI-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.99
Rot. Bonds3

About 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole

4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole (PubChem CID 104612119) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole
PubChem CID104612119
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole
SMILESCOC1(c2nc(-c3ccccc3Br)cs2)CCCC1
InChIInChI=1S/C15H16BrNOS/c1-18-15(8-4-5-9-15)14-17-13(10-19-14)11-6-2-3-7-12(11)16/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyBWIJXQUFYHHCQI-UHFFFAOYSA-N
XLogP4.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole (CID 104612119) is 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole is COC1(c2nc(-c3ccccc3Br)cs2)CCCC1.
What is the InChIKey of 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole?
The InChIKey is BWIJXQUFYHHCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-18-15(8-4-5-9-15)14-17-13(10-19-14)11-6-2-3-7-12(11)16/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole?
4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole has a molecular weight of 338.27 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(1-methoxycyclopentyl)-1,3-thiazole is sourced from PubChem (CID 104612119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).