2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol

C16H27NO2S — CID 115927169

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol
SMILESCC(C)(C)c1csc(CC(CO)(CO)C2CCCC2)n1
InChIInChI=1S/C16H27NO2S/c1-15(2,3)13-9-20-14(17-13)8-16(10-18,11-19)12-6-4-5-7-12/h9,12,18-19H,4-8,10-11H2,1-3H3
InChIKeyZFCSUWZDDBQOLH-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.14
Rot. Bonds5

About 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol (PubChem CID 115927169) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol
PubChem CID115927169
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol
SMILESCC(C)(C)c1csc(CC(CO)(CO)C2CCCC2)n1
InChIInChI=1S/C16H27NO2S/c1-15(2,3)13-9-20-14(17-13)8-16(10-18,11-19)12-6-4-5-7-12/h9,12,18-19H,4-8,10-11H2,1-3H3
InChIKeyZFCSUWZDDBQOLH-UHFFFAOYSA-N
XLogP3.14
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol (CID 115927169) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol is CC(C)(C)c1csc(CC(CO)(CO)C2CCCC2)n1.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol?
The InChIKey is ZFCSUWZDDBQOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-15(2,3)13-9-20-14(17-13)8-16(10-18,11-19)12-6-4-5-7-12/h9,12,18-19H,4-8,10-11H2,1-3H3.
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol?
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol has a molecular weight of 297.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-cyclopentylpropane-1,3-diol is sourced from PubChem (CID 115927169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).