2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol

C10H18N2OS — CID 114495556

IUPAC2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
SMILESCCC(C)(O)CN(C)Cc1cscn1
InChIInChI=1S/C10H18N2OS/c1-4-10(2,13)7-12(3)5-9-6-14-8-11-9/h6,8,13H,4-5,7H2,1-3H3
InChIKeyZTRXMIAWVODVRS-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol

2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol (PubChem CID 114495556) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
PubChem CID114495556
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
SMILESCCC(C)(O)CN(C)Cc1cscn1
InChIInChI=1S/C10H18N2OS/c1-4-10(2,13)7-12(3)5-9-6-14-8-11-9/h6,8,13H,4-5,7H2,1-3H3
InChIKeyZTRXMIAWVODVRS-UHFFFAOYSA-N
XLogP1.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol (CID 114495556) is 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol is CCC(C)(O)CN(C)Cc1cscn1.
What is the InChIKey of 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol?
The InChIKey is ZTRXMIAWVODVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-10(2,13)7-12(3)5-9-6-14-8-11-9/h6,8,13H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol?
2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 114495556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).