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

C17H21NO2S — CID 114518744

IUPAC(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
SMILESCC(C)(C)c1nc(C(O)c2ccc(OC3CC3)cc2)cs1
InChIInChI=1S/C17H21NO2S/c1-17(2,3)16-18-14(10-21-16)15(19)11-4-6-12(7-5-11)20-13-8-9-13/h4-7,10,13,15,19H,8-9H2,1-3H3
InChIKeyDCKSLOJLTJFSFJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.06
Rot. Bonds4

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

(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol (PubChem CID 114518744) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
PubChem CID114518744
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
SMILESCC(C)(C)c1nc(C(O)c2ccc(OC3CC3)cc2)cs1
InChIInChI=1S/C17H21NO2S/c1-17(2,3)16-18-14(10-21-16)15(19)11-4-6-12(7-5-11)20-13-8-9-13/h4-7,10,13,15,19H,8-9H2,1-3H3
InChIKeyDCKSLOJLTJFSFJ-UHFFFAOYSA-N
XLogP4.06
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyloxyphenyl)-(5-methyl-2-pyridinyl)methanol
CID 114518682
(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 114518732
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(4-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105131446
(4-cyclopropyloxyphenyl)-(6-methoxypyrimidin-4-yl)methanol
CID 102950531
(4-cyclopropyloxyphenyl)-(4-cyclopropylphenyl)methanol
CID 114518662
1-(4-cyclopropyloxyphenyl)-2-methoxy-3,3-dimethylbutan-1-ol
CID 114519159
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
2-tert-butyl-4-propan-2-yl-1,3-thiazole
CID 22975254
(3-cyclopropylimidazol-4-yl)-(4-cyclopropyloxyphenyl)methanol
CID 114518648
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol?
The IUPAC name of (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol (CID 114518744) is (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol is CC(C)(C)c1nc(C(O)c2ccc(OC3CC3)cc2)cs1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol?
The InChIKey is DCKSLOJLTJFSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-17(2,3)16-18-14(10-21-16)15(19)11-4-6-12(7-5-11)20-13-8-9-13/h4-7,10,13,15,19H,8-9H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol?
(2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol has a molecular weight of 303.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-4-yl)-(4-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 114518744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).