2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine

C12H22N2OS — CID 65248861

IUPAC2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
SMILESCc1ncsc1CCOCCC(C)(C)CN
InChIInChI=1S/C12H22N2OS/c1-10-11(16-9-14-10)4-6-15-7-5-12(2,3)8-13/h9H,4-8,13H2,1-3H3
InChIKeyIAUIKFIZJKJURM-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.39
Rot. Bonds7

About 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine

2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine (PubChem CID 65248861) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
PubChem CID65248861
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
SMILESCc1ncsc1CCOCCC(C)(C)CN
InChIInChI=1S/C12H22N2OS/c1-10-11(16-9-14-10)4-6-15-7-5-12(2,3)8-13/h9H,4-8,13H2,1-3H3
InChIKeyIAUIKFIZJKJURM-UHFFFAOYSA-N
XLogP2.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide
CID 77062748
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
2,2-dimethyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentanenitrile
CID 65257542
2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
CID 106710371
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62443422
2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79661509
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
CID 79403461

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine (CID 65248861) is 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine is Cc1ncsc1CCOCCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine?
The InChIKey is IAUIKFIZJKJURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-11(16-9-14-10)4-6-15-7-5-12(2,3)8-13/h9H,4-8,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine?
2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine is sourced from PubChem (CID 65248861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).