[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

C15H19NO2S — CID 110891814

IUPAC[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCC(C)(C)c1nc(COc2ccc(CO)cc2)cs1
InChIInChI=1S/C15H19NO2S/c1-15(2,3)14-16-12(10-19-14)9-18-13-6-4-11(8-17)5-7-13/h4-7,10,17H,8-9H2,1-3H3
InChIKeyPSIMQGRDUZITAX-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.51
Rot. Bonds4

About [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (PubChem CID 110891814) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
PubChem CID110891814
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
SMILESCC(C)(C)c1nc(COc2ccc(CO)cc2)cs1
InChIInChI=1S/C15H19NO2S/c1-15(2,3)14-16-12(10-19-14)9-18-13-6-4-11(8-17)5-7-13/h4-7,10,17H,8-9H2,1-3H3
InChIKeyPSIMQGRDUZITAX-UHFFFAOYSA-N
XLogP3.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol with MolForge

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Related Compounds

2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol
CID 111630061
4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466309
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methanamine
CID 86947343
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119256010
2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid
CID 60911184
1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 106484727
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79799349
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 103844460

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The IUPAC name of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol (CID 110891814) is [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The canonical SMILES for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is CC(C)(C)c1nc(COc2ccc(CO)cc2)cs1.
What is the InChIKey of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
The InChIKey is PSIMQGRDUZITAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(2,3)14-16-12(10-19-14)9-18-13-6-4-11(8-17)5-7-13/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol?
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol has a molecular weight of 277.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 110891814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).