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

C9H16N2OS — CID 65108079

IUPAC2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
SMILESCCC(C)(O)CNCc1cncs1
InChIInChI=1S/C9H16N2OS/c1-3-9(2,12)6-10-4-8-5-11-7-13-8/h5,7,10,12H,3-4,6H2,1-2H3
InChIKeyYKPBZWCADGCZTD-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.39
Rot. Bonds5

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

2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol (PubChem CID 65108079) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
PubChem CID65108079
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
SMILESCCC(C)(O)CNCc1cncs1
InChIInChI=1S/C9H16N2OS/c1-3-9(2,12)6-10-4-8-5-11-7-13-8/h5,7,10,12H,3-4,6H2,1-2H3
InChIKeyYKPBZWCADGCZTD-UHFFFAOYSA-N
XLogP1.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol (CID 65108079) is 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol is CCC(C)(O)CNCc1cncs1.
What is the InChIKey of 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol?
The InChIKey is YKPBZWCADGCZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-9(2,12)6-10-4-8-5-11-7-13-8/h5,7,10,12H,3-4,6H2,1-2H3.
What are the key properties of 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol?
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol is sourced from PubChem (CID 65108079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).