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

C12H13NOS — CID 105474603

IUPAC4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol
SMILESCC(C)c1scnc1-c1ccc(O)cc1
InChIInChI=1S/C12H13NOS/c1-8(2)12-11(13-7-15-12)9-3-5-10(14)6-4-9/h3-8,14H,1-2H3
InChIKeyMLYUQQYLGJWCOI-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.64
Rot. Bonds2

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

4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol (PubChem CID 105474603) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol
PubChem CID105474603
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol
SMILESCC(C)c1scnc1-c1ccc(O)cc1
InChIInChI=1S/C12H13NOS/c1-8(2)12-11(13-7-15-12)9-3-5-10(14)6-4-9/h3-8,14H,1-2H3
InChIKeyMLYUQQYLGJWCOI-UHFFFAOYSA-N
XLogP3.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-1,3-thiazol-4-yl)phenol
CID 141423844
2-(5-propan-2-yl-1,3-thiazol-4-yl)aniline
CID 105473203
4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
CID 105472326
4-(2-chloro-5-propan-2-yl-1H-imidazol-4-yl)phenol
CID 105498441
4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol
CID 82542124
4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol
CID 82542113
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
4-methylphenol;2-methylpropane
CID 91606636

Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol (CID 105474603) is 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol is CC(C)c1scnc1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol?
The InChIKey is MLYUQQYLGJWCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8(2)12-11(13-7-15-12)9-3-5-10(14)6-4-9/h3-8,14H,1-2H3.
What are the key properties of 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol?
4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol has a molecular weight of 219.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 105474603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).