[4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol

C11H10ClNO3S — CID 80692713

IUPAC[4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccccc1Oc1nc(Cl)c(CO)s1
InChIInChI=1S/C11H10ClNO3S/c1-15-7-4-2-3-5-8(7)16-11-13-10(12)9(6-14)17-11/h2-5,14H,6H2,1H3
InChIKeyBQLAJYKFECYOSK-UHFFFAOYSA-N
MW271.72 g/mol
LogP3.09
Rot. Bonds4

About [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol (PubChem CID 80692713) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol
PubChem CID80692713
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name[4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccccc1Oc1nc(Cl)c(CO)s1
InChIInChI=1S/C11H10ClNO3S/c1-15-7-4-2-3-5-8(7)16-11-13-10(12)9(6-14)17-11/h2-5,14H,6H2,1H3
InChIKeyBQLAJYKFECYOSK-UHFFFAOYSA-N
XLogP3.09
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol (CID 80692713) is [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol is COc1ccccc1Oc1nc(Cl)c(CO)s1.
What is the InChIKey of [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol?
The InChIKey is BQLAJYKFECYOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-15-7-4-2-3-5-8(7)16-11-13-10(12)9(6-14)17-11/h2-5,14H,6H2,1H3.
What are the key properties of [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol has a molecular weight of 271.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-methoxyphenoxy)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).