1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol

C15H19NOS — CID 116867576

IUPAC1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1ccc(C(C)C)cc1-c1csc(C(C)O)n1
InChIInChI=1S/C15H19NOS/c1-9(2)12-6-5-10(3)13(7-12)14-8-18-15(16-14)11(4)17/h5-9,11,17H,1-4H3
InChIKeyOSRMGHNGCBEZGU-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.30
Rot. Bonds3

About 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol

1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116867576) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID116867576
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCc1ccc(C(C)C)cc1-c1csc(C(C)O)n1
InChIInChI=1S/C15H19NOS/c1-9(2)12-6-5-10(3)13(7-12)14-8-18-15(16-14)11(4)17/h5-9,11,17H,1-4H3
InChIKeyOSRMGHNGCBEZGU-UHFFFAOYSA-N
XLogP4.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol (CID 116867576) is 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol is Cc1ccc(C(C)C)cc1-c1csc(C(C)O)n1.
What is the InChIKey of 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is OSRMGHNGCBEZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-9(2)12-6-5-10(3)13(7-12)14-8-18-15(16-14)11(4)17/h5-9,11,17H,1-4H3.
What are the key properties of 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol?
1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 261.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116867576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).