3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine

C11H20N2OS — CID 116718491

IUPAC3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
SMILESCCCC(OC)C(N)Cc1csc(C)n1
InChIInChI=1S/C11H20N2OS/c1-4-5-11(14-3)10(12)6-9-7-15-8(2)13-9/h7,10-11H,4-6,12H2,1-3H3
InChIKeyWIHQNKPCEDPRBU-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.14
Rot. Bonds6

About 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine

3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine (PubChem CID 116718491) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
PubChem CID116718491
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
SMILESCCCC(OC)C(N)Cc1csc(C)n1
InChIInChI=1S/C11H20N2OS/c1-4-5-11(14-3)10(12)6-9-7-15-8(2)13-9/h7,10-11H,4-6,12H2,1-3H3
InChIKeyWIHQNKPCEDPRBU-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ylhydrazine
CID 105202230
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-(2-methyl-1,3-thiazol-4-yl)-N,3-dipropylhexan-2-amine
CID 104996994
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 116708071
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine
CID 79190091
N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine
CID 104996898
6-methyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83161989
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103433481
5-ethylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 65095510

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine?
The IUPAC name of 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine (CID 116718491) is 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine.
What is the SMILES notation for 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine?
The canonical SMILES for 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine is CCCC(OC)C(N)Cc1csc(C)n1.
What is the InChIKey of 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine?
The InChIKey is WIHQNKPCEDPRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-5-11(14-3)10(12)6-9-7-15-8(2)13-9/h7,10-11H,4-6,12H2,1-3H3.
What are the key properties of 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine?
3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-amine is sourced from PubChem (CID 116718491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).