N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

C13H24N2OS — CID 116777851

IUPACN-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(CC)(CC)OC)nc1C
InChIInChI=1S/C13H24N2OS/c1-6-13(7-2,16-5)12-15-10(4)11(17-12)9-14-8-3/h14H,6-9H2,1-5H3
InChIKeyFQWNLTBVABPPLZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.22
Rot. Bonds7

About N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 116777851) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID116777851
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C(CC)(CC)OC)nc1C
InChIInChI=1S/C13H24N2OS/c1-6-13(7-2,16-5)12-15-10(4)11(17-12)9-14-8-3/h14H,6-9H2,1-5H3
InChIKeyFQWNLTBVABPPLZ-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 83959800
1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777834
1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 116774121
N-ethyl-1-[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774273
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777926
N-[[2-(3-methoxypentan-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368822
N-[[4-ethyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841225
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116777911
N-[[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193716
N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63086416
2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82193761

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 116777851) is N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C(CC)(CC)OC)nc1C.
What is the InChIKey of N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is FQWNLTBVABPPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-13(7-2,16-5)12-15-10(4)11(17-12)9-14-8-3/h14H,6-9H2,1-5H3.
What are the key properties of N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 256.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 116777851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).