3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol

C11H20N2OS — CID 95903874

IUPAC3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
SMILESCC[C@@](C)(NCCCO)c1nc(C)cs1
InChIInChI=1S/C11H20N2OS/c1-4-11(3,12-6-5-7-14)10-13-9(2)8-15-10/h8,12,14H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyHMOVWNYLYNWACB-LLVKDONJSA-N
MW228.36 g/mol
LogP2.05
Rot. Bonds6

About 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol

3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol (PubChem CID 95903874) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
PubChem CID95903874
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
SMILESCC[C@@](C)(NCCCO)c1nc(C)cs1
InChIInChI=1S/C11H20N2OS/c1-4-11(3,12-6-5-7-14)10-13-9(2)8-15-10/h8,12,14H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyHMOVWNYLYNWACB-LLVKDONJSA-N
XLogP2.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propyl]acetamide
CID 97095547
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453
3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one
CID 120982996
2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
CID 95903901
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]butan-2-amine
CID 99777451
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 80558853
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892019
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61330206
1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 113490150
2-methyl-3-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]propanamide
CID 119892016
N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 61331371

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol (CID 95903874) is 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol is CC[C@@](C)(NCCCO)c1nc(C)cs1.
What is the InChIKey of 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol?
The InChIKey is HMOVWNYLYNWACB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-11(3,12-6-5-7-14)10-13-9(2)8-15-10/h8,12,14H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol?
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol is sourced from PubChem (CID 95903874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).