2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine

C14H26N2OS — CID 62534931

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine
SMILESCOCC(C)(NC(C)C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H26N2OS/c1-10(2)16-14(6,9-17-7)12-15-11(8-18-12)13(3,4)5/h8,10,16H,9H2,1-7H3
InChIKeyAMJLQHXDWWLNLT-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine (PubChem CID 62534931) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine
PubChem CID62534931
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine
SMILESCOCC(C)(NC(C)C)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H26N2OS/c1-10(2)16-14(6,9-17-7)12-15-11(8-18-12)13(3,4)5/h8,10,16H,9H2,1-7H3
InChIKeyAMJLQHXDWWLNLT-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
1-methoxy-N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62536660
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)-2-methylpentan-3-amine
CID 62544110
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
CID 61332734
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
CID 114868550
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
CID 61332465
1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine
CID 113490154
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine
CID 116502423
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 114832562

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine (CID 62534931) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine is COCC(C)(NC(C)C)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine?
The InChIKey is AMJLQHXDWWLNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-10(2)16-14(6,9-17-7)12-15-11(8-18-12)13(3,4)5/h8,10,16H,9H2,1-7H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 62534931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).