1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol

C8H14N2OS — CID 131048608

IUPAC1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
SMILESCC(C)C(O)(CN)c1ccsn1
InChIInChI=1S/C8H14N2OS/c1-6(2)8(11,5-9)7-3-4-12-10-7/h3-4,6,11H,5,9H2,1-2H3
InChIKeyRNDCCIWVEBHTGI-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.95
Rot. Bonds3

About 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol

1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol (PubChem CID 131048608) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
PubChem CID131048608
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
SMILESCC(C)C(O)(CN)c1ccsn1
InChIInChI=1S/C8H14N2OS/c1-6(2)8(11,5-9)7-3-4-12-10-7/h3-4,6,11H,5,9H2,1-2H3
InChIKeyRNDCCIWVEBHTGI-UHFFFAOYSA-N
XLogP0.95
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1,1,1-trifluoro-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130637739
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CID 70041804
5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
1-Piperidin-4-yl-1-(1,2-thiazol-3-yl)ethanol
CID 127016493
Dicyclopropyl(1,2-thiazol-3-yl)methanol
CID 130604879
3-Methyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
CID 130604943
2,2-Dimethyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
CID 130620479
4-Methyl-2-(1,2-thiazol-3-yl)pentan-2-ol
CID 130624388

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The IUPAC name of 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol (CID 131048608) is 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The canonical SMILES for 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol is CC(C)C(O)(CN)c1ccsn1.
What is the InChIKey of 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The InChIKey is RNDCCIWVEBHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6(2)8(11,5-9)7-3-4-12-10-7/h3-4,6,11H,5,9H2,1-2H3.
What are the key properties of 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol?
1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol is sourced from PubChem (CID 131048608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).