2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol

C15H19NOS — CID 116887170

IUPAC2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCCC(CO)c1sc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C15H19NOS/c1-4-12(9-17)14-11(3)16-15(18-14)13-7-5-6-10(2)8-13/h5-8,12,17H,4,9H2,1-3H3
InChIKeyUYNHCCAOOHKEFL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.91
Rot. Bonds4

About 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol

2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol (PubChem CID 116887170) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol
PubChem CID116887170
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCCC(CO)c1sc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C15H19NOS/c1-4-12(9-17)14-11(3)16-15(18-14)13-7-5-6-10(2)8-13/h5-8,12,17H,4,9H2,1-3H3
InChIKeyUYNHCCAOOHKEFL-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol?
The IUPAC name of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol (CID 116887170) is 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol.
What is the SMILES notation for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol?
The canonical SMILES for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol is CCC(CO)c1sc(-c2cccc(C)c2)nc1C.
What is the InChIKey of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol?
The InChIKey is UYNHCCAOOHKEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-12(9-17)14-11(3)16-15(18-14)13-7-5-6-10(2)8-13/h5-8,12,17H,4,9H2,1-3H3.
What are the key properties of 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol?
2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-1-ol is sourced from PubChem (CID 116887170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).