N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C13H24N2OS — CID 113459711

IUPACN-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(CCOC)sc1CNC(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-10-11(9-14-13(2,3)4)17-12(15-10)7-8-16-5/h14H,6-9H2,1-5H3
InChIKeyHFPIWFMOQVCYFA-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.78
Rot. Bonds6

About N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 113459711) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID113459711
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(CCOC)sc1CNC(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-10-11(9-14-13(2,3)4)17-12(15-10)7-8-16-5/h14H,6-9H2,1-5H3
InChIKeyHFPIWFMOQVCYFA-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-ethyl-2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 102929001
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978
[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methanol
CID 82428335
N-[[2-(2,2-dimethylpropyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104841999
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364603
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482
N-[[4-tert-butyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82438412
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104842020
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
N-[[2-(2-ethoxyethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106815449

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 113459711) is N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCc1nc(CCOC)sc1CNC(C)(C)C.
What is the InChIKey of N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HFPIWFMOQVCYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-10-11(9-14-13(2,3)4)17-12(15-10)7-8-16-5/h14H,6-9H2,1-5H3.
What are the key properties of N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 113459711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).