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

C15H27N3OS — CID 82439572

IUPAC[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
SMILESCN1CCN(CCc2nc(C(C)(C)C)c(CO)s2)CC1
InChIInChI=1S/C15H27N3OS/c1-15(2,3)14-12(11-19)20-13(16-14)5-6-18-9-7-17(4)8-10-18/h19H,5-11H2,1-4H3
InChIKeyOKDUCBPGIAHYIW-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.72
Rot. Bonds4

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

[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82439572) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
PubChem CID82439572
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
SMILESCN1CCN(CCc2nc(C(C)(C)C)c(CO)s2)CC1
InChIInChI=1S/C15H27N3OS/c1-15(2,3)14-12(11-19)20-13(16-14)5-6-18-9-7-17(4)8-10-18/h19H,5-11H2,1-4H3
InChIKeyOKDUCBPGIAHYIW-UHFFFAOYSA-N
XLogP1.72
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol (CID 82439572) is [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol is CN1CCN(CCc2nc(C(C)(C)C)c(CO)s2)CC1.
What is the InChIKey of [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is OKDUCBPGIAHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-15(2,3)14-12(11-19)20-13(16-14)5-6-18-9-7-17(4)8-10-18/h19H,5-11H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 297.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82439572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).