2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol

C16H21NO3S — CID 111630061

IUPAC2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol
SMILESCC(C)(C)c1nc(COc2ccc(OCCO)cc2)cs1
InChIInChI=1S/C16H21NO3S/c1-16(2,3)15-17-12(11-21-15)10-20-14-6-4-13(5-7-14)19-9-8-18/h4-7,11,18H,8-10H2,1-3H3
InChIKeyIOCKSCPBALBNMR-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.39
Rot. Bonds6

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

2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol (PubChem CID 111630061) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol
PubChem CID111630061
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol
SMILESCC(C)(C)c1nc(COc2ccc(OCCO)cc2)cs1
InChIInChI=1S/C16H21NO3S/c1-16(2,3)15-17-12(11-21-15)10-20-14-6-4-13(5-7-14)19-9-8-18/h4-7,11,18H,8-10H2,1-3H3
InChIKeyIOCKSCPBALBNMR-UHFFFAOYSA-N
XLogP3.39
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 110891814
4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466309
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methanamine
CID 86947343
2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid
CID 60911184
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 106484727
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
CID 162335780
CID 162335780
2-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]propan-1-ol
CID 111112628
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol?
The IUPAC name of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol (CID 111630061) is 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol is CC(C)(C)c1nc(COc2ccc(OCCO)cc2)cs1.
What is the InChIKey of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol?
The InChIKey is IOCKSCPBALBNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-16(2,3)15-17-12(11-21-15)10-20-14-6-4-13(5-7-14)19-9-8-18/h4-7,11,18H,8-10H2,1-3H3.
What are the key properties of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol?
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol has a molecular weight of 307.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol is sourced from PubChem (CID 111630061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).