2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol

C15H28N2OS — CID 111449396

IUPAC2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol
SMILESCC(C)CCC(C)(O)CNCc1csc(C(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-11(2)6-7-15(5,18)10-16-8-13-9-19-14(17-13)12(3)4/h9,11-12,16,18H,6-8,10H2,1-5H3
InChIKeyFWCYBKWOFSDTDS-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.54
Rot. Bonds8

About 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol

2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol (PubChem CID 111449396) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol
PubChem CID111449396
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol
SMILESCC(C)CCC(C)(O)CNCc1csc(C(C)C)n1
InChIInChI=1S/C15H28N2OS/c1-11(2)6-7-15(5,18)10-16-8-13-9-19-14(17-13)12(3)4/h9,11-12,16,18H,6-8,10H2,1-5H3
InChIKeyFWCYBKWOFSDTDS-UHFFFAOYSA-N
XLogP3.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol?
The IUPAC name of 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol (CID 111449396) is 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol.
What is the SMILES notation for 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol?
The canonical SMILES for 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol is CC(C)CCC(C)(O)CNCc1csc(C(C)C)n1.
What is the InChIKey of 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol?
The InChIKey is FWCYBKWOFSDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-11(2)6-7-15(5,18)10-16-8-13-9-19-14(17-13)12(3)4/h9,11-12,16,18H,6-8,10H2,1-5H3.
What are the key properties of 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol?
2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol has a molecular weight of 284.47 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol is sourced from PubChem (CID 111449396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).