N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine

C12H22N2OS — CID 105169125

IUPACN-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCCNC(CCC(C)OC)Cc1nccs1
InChIInChI=1S/C12H22N2OS/c1-4-13-11(6-5-10(2)15-3)9-12-14-7-8-16-12/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyRVQYJXLQEXAXQY-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.48
Rot. Bonds8

About N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine

N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 105169125) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
PubChem CID105169125
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCCNC(CCC(C)OC)Cc1nccs1
InChIInChI=1S/C12H22N2OS/c1-4-13-11(6-5-10(2)15-3)9-12-14-7-8-16-12/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyRVQYJXLQEXAXQY-UHFFFAOYSA-N
XLogP2.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-5-methoxyhexan-2-amine
CID 105171727
N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79825125
2-N-ethyl-1-N,1-N-dimethyl-3-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 79823508
N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79825138
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
N,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 79824583
1-(4-chlorophenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823693
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxyhexan-2-amine
CID 105168893
5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-one
CID 105118111
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine (CID 105169125) is N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine is CCNC(CCC(C)OC)Cc1nccs1.
What is the InChIKey of N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is RVQYJXLQEXAXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-13-11(6-5-10(2)15-3)9-12-14-7-8-16-12/h7-8,10-11,13H,4-6,9H2,1-3H3.
What are the key properties of N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine?
N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 105169125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).