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

C8H14N2OS — CID 131048273

IUPAC1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(CN)c1cc(C)ns1
InChIInChI=1S/C8H14N2OS/c1-3-8(11,5-9)7-4-6(2)10-12-7/h4,11H,3,5,9H2,1-2H3
InChIKeySRRKENBEMWXCEX-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.01
Rot. Bonds3

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

1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (PubChem CID 131048273) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
PubChem CID131048273
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol
SMILESCCC(O)(CN)c1cc(C)ns1
InChIInChI=1S/C8H14N2OS/c1-3-8(11,5-9)7-4-6(2)10-12-7/h4,11H,3,5,9H2,1-2H3
InChIKeySRRKENBEMWXCEX-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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
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
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
1-(3-Methyl-1,2-thiazol-5-yl)cyclohexan-1-ol
CID 127002581

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol (CID 131048273) is 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is CCC(O)(CN)c1cc(C)ns1.
What is the InChIKey of 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is SRRKENBEMWXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-8(11,5-9)7-4-6(2)10-12-7/h4,11H,3,5,9H2,1-2H3.
What are the key properties of 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol?
1-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, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-methyl-1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 131048273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).