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

C8H14N2OS — CID 131165720

IUPAC3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCc1cc(C(C)(O)C(C)N)sn1
InChIInChI=1S/C8H14N2OS/c1-5-4-7(12-10-5)8(3,11)6(2)9/h4,6,11H,9H2,1-3H3
InChIKeyAYCRIFACALHELF-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.01
Rot. Bonds2

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

3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (PubChem CID 131165720) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
PubChem CID131165720
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCc1cc(C(C)(O)C(C)N)sn1
InChIInChI=1S/C8H14N2OS/c1-5-4-7(12-10-5)8(3,11)6(2)9/h4,6,11H,9H2,1-3H3
InChIKeyAYCRIFACALHELF-UHFFFAOYSA-N
XLogP1.01
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.01
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
4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
2-Amino-1-(5-decyl-1,2-thiazol-3-yl)propane-1,3-diol
CID 18372918
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-[(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-Amino-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 126985727
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (CID 131165720) is 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is Cc1cc(C(C)(O)C(C)N)sn1.
What is the InChIKey of 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is AYCRIFACALHELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-5-4-7(12-10-5)8(3,11)6(2)9/h4,6,11H,9H2,1-3H3.
What are the key properties of 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 131165720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).