(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol

C16H21NO3S — CID 116809869

IUPAC(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1csc(C(C)(C)C)n1
InChIInChI=1S/C16H21NO3S/c1-16(2,3)15-17-10(9-21-15)14(18)13-11(19-4)7-6-8-12(13)20-5/h6-9,14,18H,1-5H3
InChIKeyMGCHSMRDWWWZPX-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.54
Rot. Bonds4

About (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol

(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 116809869) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol
PubChem CID116809869
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1csc(C(C)(C)C)n1
InChIInChI=1S/C16H21NO3S/c1-16(2,3)15-17-10(9-21-15)14(18)13-11(19-4)7-6-8-12(13)20-5/h6-9,14,18H,1-5H3
InChIKeyMGCHSMRDWWWZPX-UHFFFAOYSA-N
XLogP3.54
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol
CID 113472367
2-tert-butyl-4-(dimethoxymethyl)-1,3-thiazole
CID 66056335
(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
CID 114518744
(2-tert-butyl-1,3-thiazol-4-yl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724837
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 80529656
(2-methoxy-4,6-dimethylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanol
CID 106679764
methyl 2-(2-tert-butyl-1,3-thiazol-4-yl)butanoate
CID 116891437
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673
(2,6-dimethoxyphenyl)-pyridazin-4-ylmethanol
CID 105131599
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
2-[(2-tert-butyl-1,3-thiazol-4-yl)-hydroxymethyl]-2-methylbutanenitrile
CID 113472551

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol (CID 116809869) is (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1csc(C(C)(C)C)n1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is MGCHSMRDWWWZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-16(2,3)15-17-10(9-21-15)14(18)13-11(19-4)7-6-8-12(13)20-5/h6-9,14,18H,1-5H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol?
(2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 307.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-4-yl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 116809869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).