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

C12H22N2OS — CID 115731950

IUPAC1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine
SMILESCOCCC(NCCc1cscn1)C(C)C
InChIInChI=1S/C12H22N2OS/c1-10(2)12(5-7-15-3)13-6-4-11-8-16-9-14-11/h8-10,12-13H,4-7H2,1-3H3
InChIKeyKSLQBLWMNRCPDM-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.34
Rot. Bonds8

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

1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine (PubChem CID 115731950) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine
PubChem CID115731950
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine
SMILESCOCCC(NCCc1cscn1)C(C)C
InChIInChI=1S/C12H22N2OS/c1-10(2)12(5-7-15-3)13-6-4-11-8-16-9-14-11/h8-10,12-13H,4-7H2,1-3H3
InChIKeyKSLQBLWMNRCPDM-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
4-(6-methoxyhexyl)-1,3-thiazole
CID 67276018
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 103271064
methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate
CID 124604358
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831687
1-(2,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831507
1-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 63830235
1-(2-fluoro-6-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 112700803
1-(4-methylsulfanylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 55261999
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115731929

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine?
The IUPAC name of 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine (CID 115731950) is 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine?
The canonical SMILES for 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine is COCCC(NCCc1cscn1)C(C)C.
What is the InChIKey of 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine?
The InChIKey is KSLQBLWMNRCPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10(2)12(5-7-15-3)13-6-4-11-8-16-9-14-11/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine?
1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine has a molecular weight of 242.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 115731950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).