2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole

C15H19NOS — CID 116887526

IUPAC2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole
SMILESCCC(C)c1ccc(-c2nc(C)c(OC)s2)cc1
InChIInChI=1S/C15H19NOS/c1-5-10(2)12-6-8-13(9-7-12)14-16-11(3)15(17-4)18-14/h6-10H,5H2,1-4H3
InChIKeyCOSCDTHKXXOTHS-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.64
Rot. Bonds4

About 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole

2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole (PubChem CID 116887526) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole
PubChem CID116887526
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole
SMILESCCC(C)c1ccc(-c2nc(C)c(OC)s2)cc1
InChIInChI=1S/C15H19NOS/c1-5-10(2)12-6-8-13(9-7-12)14-16-11(3)15(17-4)18-14/h6-10H,5H2,1-4H3
InChIKeyCOSCDTHKXXOTHS-UHFFFAOYSA-N
XLogP4.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
[5-bromo-2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868255
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585
2,4,6-tris[4-(4-butan-2-ylphenyl)phenyl]-1,3,5-triazine
CID 58250718
1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868218
5-(4-butan-2-ylphenyl)-6-ethoxy-2-methylpyridin-3-amine
CID 174316832
4-(4-butan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867072
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
methyl 2-amino-4-[4-[(2R)-butan-2-yl]phenyl]-5-methylthiophene-3-carboxylate
CID 903836
propan-2-yl 2-amino-4-(4-butan-2-ylphenyl)-5-methylthiophene-3-carboxylate
CID 25218940

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The IUPAC name of 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole (CID 116887526) is 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole is CCC(C)c1ccc(-c2nc(C)c(OC)s2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole?
The InChIKey is COSCDTHKXXOTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-5-10(2)12-6-8-13(9-7-12)14-16-11(3)15(17-4)18-14/h6-10H,5H2,1-4H3.
What are the key properties of 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole?
2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole has a molecular weight of 261.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-5-methoxy-4-methyl-1,3-thiazole is sourced from PubChem (CID 116887526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).