[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol

C16H28N2OS — CID 65286588

IUPAC[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1(C)CCCN(c2nc(C(C)(C)C)c(CO)s2)CC1
InChIInChI=1S/C16H28N2OS/c1-15(2,3)13-12(11-19)20-14(17-13)18-9-6-7-16(4,5)8-10-18/h19H,6-11H2,1-5H3
InChIKeyCKQDTGBYLZJQTR-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.95
Rot. Bonds2

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

[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 65286588) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID65286588
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1(C)CCCN(c2nc(C(C)(C)C)c(CO)s2)CC1
InChIInChI=1S/C16H28N2OS/c1-15(2,3)13-12(11-19)20-14(17-13)18-9-6-7-16(4,5)8-10-18/h19H,6-11H2,1-5H3
InChIKeyCKQDTGBYLZJQTR-UHFFFAOYSA-N
XLogP3.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol (CID 65286588) is [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol is CC1(C)CCCN(c2nc(C(C)(C)C)c(CO)s2)CC1.
What is the InChIKey of [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is CKQDTGBYLZJQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-15(2,3)13-12(11-19)20-14(17-13)18-9-6-7-16(4,5)8-10-18/h19H,6-11H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 296.48 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 65286588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).