3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol

C14H17NOS — CID 28942305

IUPAC3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol
SMILESCCCc1nc(-c2cccc(O)c2)sc1CC
InChIInChI=1S/C14H17NOS/c1-3-6-12-13(4-2)17-14(15-12)10-7-5-8-11(16)9-10/h5,7-9,16H,3-4,6H2,1-2H3
InChIKeyVUSZLIDLGWJNGE-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.03
Rot. Bonds4

About 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol

3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol (PubChem CID 28942305) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol
PubChem CID28942305
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol
SMILESCCCc1nc(-c2cccc(O)c2)sc1CC
InChIInChI=1S/C14H17NOS/c1-3-6-12-13(4-2)17-14(15-12)10-7-5-8-11(16)9-10/h5,7-9,16H,3-4,6H2,1-2H3
InChIKeyVUSZLIDLGWJNGE-UHFFFAOYSA-N
XLogP4.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol (CID 28942305) is 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol is CCCc1nc(-c2cccc(O)c2)sc1CC.
What is the InChIKey of 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol?
The InChIKey is VUSZLIDLGWJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-6-12-13(4-2)17-14(15-12)10-7-5-8-11(16)9-10/h5,7-9,16H,3-4,6H2,1-2H3.
What are the key properties of 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol?
3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol has a molecular weight of 247.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 28942305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).