4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide

C16H20BrNO2S — CID 16682543

IUPAC4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide
SMILESBr.COc1ccc(-c2csc(C3CCOC(C)C3)n2)cc1
InChIInChI=1S/C16H19NO2S.BrH/c1-11-9-13(7-8-19-11)16-17-15(10-20-16)12-3-5-14(18-2)6-4-12;/h3-6,10-11,13H,7-9H2,1-2H3;1H
InChIKeyNEINBEAAMHSBBV-UHFFFAOYSA-N
MW370.31 g/mol
LogP4.68
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide

4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide (PubChem CID 16682543) has the molecular formula C16H20BrNO2S and a molecular weight of 370.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide
PubChem CID16682543
Molecular FormulaC16H20BrNO2S
Molecular Weight370.31 g/mol
Exact Mass369.04
IUPAC Name4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide
SMILESBr.COc1ccc(-c2csc(C3CCOC(C)C3)n2)cc1
InChIInChI=1S/C16H19NO2S.BrH/c1-11-9-13(7-8-19-11)16-17-15(10-20-16)12-3-5-14(18-2)6-4-12;/h3-6,10-11,13H,7-9H2,1-2H3;1H
InChIKeyNEINBEAAMHSBBV-UHFFFAOYSA-N
XLogP4.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide (CID 16682543) is 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide is Br.COc1ccc(-c2csc(C3CCOC(C)C3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide?
The InChIKey is NEINBEAAMHSBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S.BrH/c1-11-9-13(7-8-19-11)16-17-15(10-20-16)12-3-5-14(18-2)6-4-12;/h3-6,10-11,13H,7-9H2,1-2H3;1H.
What are the key properties of 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide?
4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide has a molecular weight of 370.31 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(2-methyloxan-4-yl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 16682543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).