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

C16H28N2S — CID 103563911

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
SMILESCCNC1(c2nc(C(C)(C)C)cs2)CC(C(C)C)C1
InChIInChI=1S/C16H28N2S/c1-7-17-16(8-12(9-16)11(2)3)14-18-13(10-19-14)15(4,5)6/h10-12,17H,7-9H2,1-6H3
InChIKeyKIJMXUZTASLGSW-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.31
Rot. Bonds4

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103563911) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
PubChem CID103563911
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
SMILESCCNC1(c2nc(C(C)(C)C)cs2)CC(C(C)C)C1
InChIInChI=1S/C16H28N2S/c1-7-17-16(8-12(9-16)11(2)3)14-18-13(10-19-14)15(4,5)6/h10-12,17H,7-9H2,1-6H3
InChIKeyKIJMXUZTASLGSW-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103563897
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)-N-ethyl-4-propylcyclohexan-1-amine
CID 63405820
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)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64751126
N-ethyl-3-propan-2-yl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563902
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449620
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-methyl-N-propan-2-ylcyclohexan-1-amine
CID 63405309
3-(4-tert-butyl-1,3-thiazol-2-yl)-5-methyl-N-propylthiolan-3-amine
CID 79950253
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)-3-propan-2-ylcyclohexan-1-amine
CID 107449609

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine (CID 103563911) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine is CCNC1(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-ethyl-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is KIJMXUZTASLGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-7-17-16(8-12(9-16)11(2)3)14-18-13(10-19-14)15(4,5)6/h10-12,17H,7-9H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.31, 4 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-ethyl-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103563911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).