1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine

C15H26N2S — CID 103563897

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CC(C(C)C)C1
InChIInChI=1S/C15H26N2S/c1-10(2)11-7-15(8-11,16-6)13-17-12(9-18-13)14(3,4)5/h9-11,16H,7-8H2,1-6H3
InChIKeyXCILXLXKLTWSSS-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.92
Rot. Bonds3

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103563897) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
PubChem CID103563897
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
SMILESCNC1(c2nc(C(C)(C)C)cs2)CC(C(C)C)C1
InChIInChI=1S/C15H26N2S/c1-10(2)11-7-15(8-11,16-6)13-17-12(9-18-13)14(3,4)5/h9-11,16H,7-8H2,1-6H3
InChIKeyXCILXLXKLTWSSS-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103563911
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64753474
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563879
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429503
1-(4-tert-butyl-1,3-thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63405772
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,1-dimethylpiperidin-4-amine
CID 61332937
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61331445
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-N-propan-2-ylcyclohexan-1-amine
CID 63405309
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449609
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 64754163
4-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-N-methylazepan-4-amine
CID 65077988
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-4-propylcyclohexan-1-amine
CID 63405820

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine (CID 103563897) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine is CNC1(c2nc(C(C)(C)C)cs2)CC(C(C)C)C1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is XCILXLXKLTWSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-10(2)11-7-15(8-11,16-6)13-17-12(9-18-13)14(3,4)5/h9-11,16H,7-8H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103563897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).