3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol

C8H14N2OS — CID 130927731

IUPAC3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCC(C)(N)CC(O)c1ccns1
InChIInChI=1S/C8H14N2OS/c1-8(2,9)5-6(11)7-3-4-10-12-7/h3-4,6,11H,5,9H2,1-2H3
InChIKeyFKBHGKMGRHKZFL-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol

3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol (PubChem CID 130927731) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
PubChem CID130927731
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCC(C)(N)CC(O)c1ccns1
InChIInChI=1S/C8H14N2OS/c1-8(2,9)5-6(11)7-3-4-10-12-7/h3-4,6,11H,5,9H2,1-2H3
InChIKeyFKBHGKMGRHKZFL-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
Cyclopentyl(1,2-thiazol-5-yl)methanol
CID 130826273
3-Amino-2-methyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 130832080
2-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130840879
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130871295
4-Amino-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130900773
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-5-yl)methanol
CID 130900775

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The IUPAC name of 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol (CID 130927731) is 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol is CC(C)(N)CC(O)c1ccns1.
What is the InChIKey of 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The InChIKey is FKBHGKMGRHKZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-8(2,9)5-6(11)7-3-4-10-12-7/h3-4,6,11H,5,9H2,1-2H3.
What are the key properties of 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol?
3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 130927731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).