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

C11H20N2OS — CID 115866596

IUPAC3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
SMILESCCc1nc(CNC(C)(C)C(C)O)cs1
InChIInChI=1S/C11H20N2OS/c1-5-10-13-9(7-15-10)6-12-11(3,4)8(2)14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyKKHVRZLBXPLHCV-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.95
Rot. Bonds5

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

3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol (PubChem CID 115866596) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
PubChem CID115866596
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol
SMILESCCc1nc(CNC(C)(C)C(C)O)cs1
InChIInChI=1S/C11H20N2OS/c1-5-10-13-9(7-15-10)6-12-11(3,4)8(2)14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyKKHVRZLBXPLHCV-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid
CID 79789614
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265310
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2,2,3-trimethylbutan-1-amine
CID 102609934
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 115592463
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
CID 115644894
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
6-[(2-ethyl-1,3-thiazol-4-yl)methylamino]hexan-3-ol
CID 115654661
5-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897555
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115592141
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol (CID 115866596) is 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol is CCc1nc(CNC(C)(C)C(C)O)cs1.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol?
The InChIKey is KKHVRZLBXPLHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-10-13-9(7-15-10)6-12-11(3,4)8(2)14/h7-8,12,14H,5-6H2,1-4H3.
What are the key properties of 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol?
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 115866596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).