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

C8H14N2OS — CID 164658481

IUPAC2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
SMILESCC(C)C(N)C(O)c1ccsn1
InChIInChI=1S/C8H14N2OS/c1-5(2)7(9)8(11)6-3-4-12-10-6/h3-5,7-8,11H,9H2,1-2H3
InChIKeyYWWBSKNJKHSGLT-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.16
Rot. Bonds3

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

2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol (PubChem CID 164658481) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
PubChem CID164658481
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
SMILESCC(C)C(N)C(O)c1ccsn1
InChIInChI=1S/C8H14N2OS/c1-5(2)7(9)8(11)6-3-4-12-10-6/h3-5,7-8,11H,9H2,1-2H3
InChIKeyYWWBSKNJKHSGLT-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 112489533
Piperidin-4-yl(1,2-thiazol-3-yl)methanol
CID 126985700
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
4-Methyl-2-(1,2-thiazol-3-yl)pentan-2-ol
CID 130624388
3-Methyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 130659054
(1-Methylsulfanylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 130663123
3-Amino-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130688438
(1-Ethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 130699304

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The IUPAC name of 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol (CID 164658481) is 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol.
What is the SMILES notation for 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The canonical SMILES for 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol is CC(C)C(N)C(O)c1ccsn1.
What is the InChIKey of 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol?
The InChIKey is YWWBSKNJKHSGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5(2)7(9)8(11)6-3-4-12-10-6/h3-5,7-8,11H,9H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol?
2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(1,2-thiazol-3-yl)butan-1-ol is sourced from PubChem (CID 164658481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).