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

C9H16N2OS — CID 130908848

IUPAC1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol
SMILESCC(C)(C)C(O)(CN)c1ccsn1
InChIInChI=1S/C9H16N2OS/c1-8(2,3)9(12,6-10)7-4-5-13-11-7/h4-5,12H,6,10H2,1-3H3
InChIKeyWUKFIBUUKCOQFE-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.34
Rot. Bonds2

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

1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol (PubChem CID 130908848) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol
PubChem CID130908848
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol
SMILESCC(C)(C)C(O)(CN)c1ccsn1
InChIInChI=1S/C9H16N2OS/c1-8(2,3)9(12,6-10)7-4-5-13-11-7/h4-5,12H,6,10H2,1-3H3
InChIKeyWUKFIBUUKCOQFE-UHFFFAOYSA-N
XLogP1.34
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.34
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
(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
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
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
1-Methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130625922
2-(1,2-Thiazol-3-yl)pentan-2-ol
CID 130634722
1-Amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 130639475

Frequently Asked Questions

What is the IUPAC name of 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The IUPAC name of 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol (CID 130908848) is 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The canonical SMILES for 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol is CC(C)(C)C(O)(CN)c1ccsn1.
What is the InChIKey of 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol?
The InChIKey is WUKFIBUUKCOQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-8(2,3)9(12,6-10)7-4-5-13-11-7/h4-5,12H,6,10H2,1-3H3.
What are the key properties of 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol?
1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3-dimethyl-2-(1,2-thiazol-3-yl)butan-2-ol is sourced from PubChem (CID 130908848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).