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

C11H20N2OS — CID 64541008

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1sc(C)nc1C
InChIInChI=1S/C11H20N2OS/c1-5-11(4,14)7-12-6-10-8(2)13-9(3)15-10/h12,14H,5-7H2,1-4H3
InChIKeyNWQMHTGLOCOETH-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.01
Rot. Bonds5

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

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 64541008) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
PubChem CID64541008
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1sc(C)nc1C
InChIInChI=1S/C11H20N2OS/c1-5-11(4,14)7-12-6-10-8(2)13-9(3)15-10/h12,14H,5-7H2,1-4H3
InChIKeyNWQMHTGLOCOETH-UHFFFAOYSA-N
XLogP2.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol (CID 64541008) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1sc(C)nc1C.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is NWQMHTGLOCOETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-11(4,14)7-12-6-10-8(2)13-9(3)15-10/h12,14H,5-7H2,1-4H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 64541008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).