2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol

C12H22N2OS — CID 115895184

IUPAC2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC(C)c1scnc1C
InChIInChI=1S/C12H22N2OS/c1-5-12(4,7-15)6-13-9(2)11-10(3)14-8-16-11/h8-9,13,15H,5-7H2,1-4H3
InChIKeyJAPKEBHTFDXBIC-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.51
Rot. Bonds6

About 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol

2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol (PubChem CID 115895184) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
PubChem CID115895184
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNC(C)c1scnc1C
InChIInChI=1S/C12H22N2OS/c1-5-12(4,7-15)6-13-9(2)11-10(3)14-8-16-11/h8-9,13,15H,5-7H2,1-4H3
InChIKeyJAPKEBHTFDXBIC-UHFFFAOYSA-N
XLogP2.51
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115725802
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81419325
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
2-methyl-2-methylsulfonyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 79558911
2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
CID 103904692
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
CID 43787224
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol (CID 115895184) is 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol is CCC(C)(CO)CNC(C)c1scnc1C.
What is the InChIKey of 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol?
The InChIKey is JAPKEBHTFDXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-12(4,7-15)6-13-9(2)11-10(3)14-8-16-11/h8-9,13,15H,5-7H2,1-4H3.
What are the key properties of 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol?
2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 115895184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).