(2,4-ditert-butyl-1,3-thiazol-5-yl)methanol

C12H21NOS — CID 59363510

IUPAC(2,4-ditert-butyl-1,3-thiazol-5-yl)methanol
SMILESCC(C)(C)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C12H21NOS/c1-11(2,3)9-8(7-14)15-10(13-9)12(4,5)6/h14H,7H2,1-6H3
InChIKeyUYQJLZILSBQSRU-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.23
Rot. Bonds1

About (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol

(2,4-ditert-butyl-1,3-thiazol-5-yl)methanol (PubChem CID 59363510) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2,4-ditert-butyl-1,3-thiazol-5-yl)methanol
PubChem CID59363510
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name(2,4-ditert-butyl-1,3-thiazol-5-yl)methanol
SMILESCC(C)(C)c1nc(C(C)(C)C)c(CO)s1
InChIInChI=1S/C12H21NOS/c1-11(2,3)9-8(7-14)15-10(13-9)12(4,5)6/h14H,7H2,1-6H3
InChIKeyUYQJLZILSBQSRU-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol (CID 59363510) is (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol is CC(C)(C)c1nc(C(C)(C)C)c(CO)s1.
What is the InChIKey of (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol?
The InChIKey is UYQJLZILSBQSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-11(2,3)9-8(7-14)15-10(13-9)12(4,5)6/h14H,7H2,1-6H3.
What are the key properties of (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol?
(2,4-ditert-butyl-1,3-thiazol-5-yl)methanol has a molecular weight of 227.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-ditert-butyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 59363510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).