N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine

C13H24N2OS — CID 116720302

IUPACN-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc(C)cs1)C(OC)C(C)C
InChIInChI=1S/C13H24N2OS/c1-6-14-11(13(16-5)9(2)3)7-12-15-10(4)8-17-12/h8-9,11,13-14H,6-7H2,1-5H3
InChIKeyPVGKNRMAALSJSR-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.64
Rot. Bonds7

About N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine

N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 116720302) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID116720302
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nc(C)cs1)C(OC)C(C)C
InChIInChI=1S/C13H24N2OS/c1-6-14-11(13(16-5)9(2)3)7-12-15-10(4)8-17-12/h8-9,11,13-14H,6-7H2,1-5H3
InChIKeyPVGKNRMAALSJSR-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720237
N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019512
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105019461
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104611138
1-(1-benzothiophen-3-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720326
N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796365
N-ethyl-5,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 62794826
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2-methylthiophen-3-yl)ethanamine
CID 102832315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine (CID 116720302) is N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is CCNC(Cc1nc(C)cs1)C(OC)C(C)C.
What is the InChIKey of N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is PVGKNRMAALSJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-14-11(13(16-5)9(2)3)7-12-15-10(4)8-17-12/h8-9,11,13-14H,6-7H2,1-5H3.
What are the key properties of N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine?
N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116720302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).