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

C9H16N2OS — CID 115752782

IUPAC2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol
SMILESCN(Cc1nccs1)C(C)(C)CO
InChIInChI=1S/C9H16N2OS/c1-9(2,7-12)11(3)6-8-10-4-5-13-8/h4-5,12H,6-7H2,1-3H3
InChIKeyIJBJFFRVUZAJDY-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.35
Rot. Bonds4

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

2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol (PubChem CID 115752782) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol
PubChem CID115752782
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol
SMILESCN(Cc1nccs1)C(C)(C)CO
InChIInChI=1S/C9H16N2OS/c1-9(2,7-12)11(3)6-8-10-4-5-13-8/h4-5,12H,6-7H2,1-3H3
InChIKeyIJBJFFRVUZAJDY-UHFFFAOYSA-N
XLogP1.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol
CID 115638035
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
2-methyl-2-[methyl-[(2-methyl-3-pyridinyl)methyl]amino]propan-1-ol
CID 115882420
3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]thiophene-2-carbohydrazide
CID 113476710
N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-ynamide
CID 130614901
2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile
CID 79421779
4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 75524467
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111613528
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 119891584
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol
CID 113476329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol (CID 115752782) is 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol is CN(Cc1nccs1)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol?
The InChIKey is IJBJFFRVUZAJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,7-12)11(3)6-8-10-4-5-13-8/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol?
2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 115752782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).