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

C14H26N2OS — CID 55077594

IUPACN-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
SMILESCCC(CNC(C)(C)C)OCCc1scnc1C
InChIInChI=1S/C14H26N2OS/c1-6-12(9-16-14(3,4)5)17-8-7-13-11(2)15-10-18-13/h10,12,16H,6-9H2,1-5H3
InChIKeyJDWVRTFHMMDQQF-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.18
Rot. Bonds7

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

N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine (PubChem CID 55077594) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
PubChem CID55077594
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
SMILESCCC(CNC(C)(C)C)OCCc1scnc1C
InChIInChI=1S/C14H26N2OS/c1-6-12(9-16-14(3,4)5)17-8-7-13-11(2)15-10-18-13/h10,12,16H,6-9H2,1-5H3
InChIKeyJDWVRTFHMMDQQF-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
CID 62445140
N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
N-ethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62444186
N,2,2-trimethyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62726130
2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 65248861
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]cyclopropanamine
CID 62444769
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
N-tert-butyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-2-amine
CID 115498631
methyl 3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanoate
CID 43536087
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine?
The IUPAC name of N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine (CID 55077594) is N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine is CCC(CNC(C)(C)C)OCCc1scnc1C.
What is the InChIKey of N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine?
The InChIKey is JDWVRTFHMMDQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-6-12(9-16-14(3,4)5)17-8-7-13-11(2)15-10-18-13/h10,12,16H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine?
N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine is sourced from PubChem (CID 55077594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).