[2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol

C14H16ClNO2S — CID 80693446

IUPAC[2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESCCC(C)c1ccccc1Oc1nc(Cl)c(CO)s1
InChIInChI=1S/C14H16ClNO2S/c1-3-9(2)10-6-4-5-7-11(10)18-14-16-13(15)12(8-17)19-14/h4-7,9,17H,3,8H2,1-2H3
InChIKeyTVFLYLUECMGBKM-UHFFFAOYSA-N
MW297.81 g/mol
LogP4.59
Rot. Bonds5

About [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol

[2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol (PubChem CID 80693446) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
PubChem CID80693446
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name[2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
SMILESCCC(C)c1ccccc1Oc1nc(Cl)c(CO)s1
InChIInChI=1S/C14H16ClNO2S/c1-3-9(2)10-6-4-5-7-11(10)18-14-16-13(15)12(8-17)19-14/h4-7,9,17H,3,8H2,1-2H3
InChIKeyTVFLYLUECMGBKM-UHFFFAOYSA-N
XLogP4.59
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
CID 80692917
4-chloro-2-(2-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 80692186
[4-(2-butan-2-ylphenoxy)-3,5-difluorophenyl]methanol
CID 63078112
[4-chloro-2-(2-chlorophenoxy)-1,3-thiazol-5-yl]methanamine
CID 117258710
2-(2-butan-2-ylphenoxy)-3-chloroaniline
CID 43101029
4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80943134
6-(2-butan-2-ylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 102760712
[2-(2-butan-2-ylphenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383274
(4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol
CID 107387544
4-(2-butan-2-ylphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80874080
[2-(2-bromophenoxy)-4-chloro-1,3-thiazol-5-yl]methanamine
CID 117258711
[3-(2-butan-2-ylphenoxy)-5-fluorophenyl]methanol
CID 106530139

Frequently Asked Questions

What is the IUPAC name of [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol (CID 80693446) is [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol is CCC(C)c1ccccc1Oc1nc(Cl)c(CO)s1.
What is the InChIKey of [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
The InChIKey is TVFLYLUECMGBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-3-9(2)10-6-4-5-7-11(10)18-14-16-13(15)12(8-17)19-14/h4-7,9,17H,3,8H2,1-2H3.
What are the key properties of [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol?
[2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol has a molecular weight of 297.81 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butan-2-ylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).