[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol

C15H19NO2S — CID 131867614

IUPAC[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
SMILESCOc1nc(-c2ccc(C(C)(C)C)cc2)c(CO)s1
InChIInChI=1S/C15H19NO2S/c1-15(2,3)11-7-5-10(6-8-11)13-12(9-17)19-14(16-13)18-4/h5-8,17H,9H2,1-4H3
InChIKeyFAOYACJFDRNBCD-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.61
Rot. Bonds3

About [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol

[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol (PubChem CID 131867614) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
PubChem CID131867614
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
SMILESCOc1nc(-c2ccc(C(C)(C)C)cc2)c(CO)s1
InChIInChI=1S/C15H19NO2S/c1-15(2,3)11-7-5-10(6-8-11)13-12(9-17)19-14(16-13)18-4/h5-8,17H,9H2,1-4H3
InChIKeyFAOYACJFDRNBCD-UHFFFAOYSA-N
XLogP3.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol (CID 131867614) is [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol is COc1nc(-c2ccc(C(C)(C)C)cc2)c(CO)s1.
What is the InChIKey of [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol?
The InChIKey is FAOYACJFDRNBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(2,3)11-7-5-10(6-8-11)13-12(9-17)19-14(16-13)18-4/h5-8,17H,9H2,1-4H3.
What are the key properties of [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol?
[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol has a molecular weight of 277.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131867614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).