2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol

C11H20N2OS — CID 78998272

IUPAC2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
SMILESCc1ncsc1CCN(C)CC(C)(C)O
InChIInChI=1S/C11H20N2OS/c1-9-10(15-8-12-9)5-6-13(4)7-11(2,3)14/h8,14H,5-7H2,1-4H3
InChIKeySLUJUSSEIAVEHG-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.70
Rot. Bonds5

About 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol

2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol (PubChem CID 78998272) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
PubChem CID78998272
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
SMILESCc1ncsc1CCN(C)CC(C)(C)O
InChIInChI=1S/C11H20N2OS/c1-9-10(15-8-12-9)5-6-13(4)7-11(2,3)14/h8,14H,5-7H2,1-4H3
InChIKeySLUJUSSEIAVEHG-UHFFFAOYSA-N
XLogP1.70
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
4-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butan-2-ol
CID 115665735
2-methyl-4-[5-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]thiophen-2-yl]but-3-yn-2-ol
CID 131932004
2,2-dimethyl-6-(4-methyl-1,3-thiazol-5-yl)hexan-3-one
CID 79428990
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 50975442
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 131917349
2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79661509
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 103993489
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 28641728
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azetidin-3-amine
CID 66188326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol (CID 78998272) is 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol is Cc1ncsc1CCN(C)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol?
The InChIKey is SLUJUSSEIAVEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9-10(15-8-12-9)5-6-13(4)7-11(2,3)14/h8,14H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol?
2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.70, 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-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 78998272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).