1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol

C11H20N2OS — CID 115679819

IUPAC1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
SMILESCCc1cnc(C(C)NCC(C)(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-5-9-6-12-10(15-9)8(2)13-7-11(3,4)14/h6,8,13-14H,5,7H2,1-4H3
InChIKeyIJPNRVYWSIIDFN-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.13
Rot. Bonds5

About 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol (PubChem CID 115679819) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
PubChem CID115679819
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
SMILESCCc1cnc(C(C)NCC(C)(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-5-9-6-12-10(15-9)8(2)13-7-11(3,4)14/h6,8,13-14H,5,7H2,1-4H3
InChIKeyIJPNRVYWSIIDFN-UHFFFAOYSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-1-amine
CID 115904938
N,N-diethyl-2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]acetamide
CID 113387190
1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 111796850
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 112696883
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111796846
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 112640133
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxan-4-amine
CID 113387352
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-2,6-difluorophenol
CID 115680101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol (CID 115679819) is 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol is CCc1cnc(C(C)NCC(C)(C)O)s1.
What is the InChIKey of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol?
The InChIKey is IJPNRVYWSIIDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-9-6-12-10(15-9)8(2)13-7-11(3,4)14/h6,8,13-14H,5,7H2,1-4H3.
What are the key properties of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol?
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 115679819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).