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

C9H16N2OS — CID 130639475

IUPAC1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCc1cc(C(O)(CN)C(C)C)sn1
InChIInChI=1S/C9H16N2OS/c1-6(2)9(12,5-10)8-4-7(3)11-13-8/h4,6,12H,5,10H2,1-3H3
InChIKeyBVHCKJGRXCWICI-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.25
Rot. Bonds3

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

1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (PubChem CID 130639475) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
PubChem CID130639475
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCc1cc(C(O)(CN)C(C)C)sn1
InChIInChI=1S/C9H16N2OS/c1-6(2)9(12,5-10)8-4-7(3)11-13-8/h4,6,12H,5,10H2,1-3H3
InChIKeyBVHCKJGRXCWICI-UHFFFAOYSA-N
XLogP1.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
CID 130638070
1-Ethyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534542
4-(3-Methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 69534552
2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
CID 121315885
1-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 130646260
2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
2-[3-[(6R)-6-methylpiperidin-3-yl]-1,2-thiazol-5-yl]propan-2-ol
CID 145069790
2-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 112489533
3-Methoxy-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
CID 126985729
3-Methyl-4-(3-methyl-1,2-thiazol-5-yl)piperidin-4-ol
CID 126985751
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581
Cyclobutyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604889

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (CID 130639475) is 1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is Cc1cc(C(O)(CN)C(C)C)sn1.
What is the InChIKey of 1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is BVHCKJGRXCWICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(2)9(12,5-10)8-4-7(3)11-13-8/h4,6,12H,5,10H2,1-3H3.
What are the key properties of 1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
1-amino-3-methyl-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.25, 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-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 130639475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).