1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine

C17H30N2S — CID 103169196

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C(C)(C)C)cs1)CC1CCC1
InChIInChI=1S/C17H30N2S/c1-5-9-18-14(10-13-7-6-8-13)11-16-19-15(12-20-16)17(2,3)4/h12-14,18H,5-11H2,1-4H3
InChIKeyWKBNLNOEMGZOCC-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.54
Rot. Bonds7

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine (PubChem CID 103169196) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
PubChem CID103169196
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C(C)(C)C)cs1)CC1CCC1
InChIInChI=1S/C17H30N2S/c1-5-9-18-14(10-13-7-6-8-13)11-16-19-15(12-20-16)17(2,3)4/h12-14,18H,5-11H2,1-4H3
InChIKeyWKBNLNOEMGZOCC-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105016097
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004791
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213765
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62385430
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715970
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105015844
[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325005
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine (CID 103169196) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine is CCCNC(Cc1nc(C(C)(C)C)cs1)CC1CCC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine?
The InChIKey is WKBNLNOEMGZOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-9-18-14(10-13-7-6-8-13)11-16-19-15(12-20-16)17(2,3)4/h12-14,18H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine has a molecular weight of 294.51 g/mol, XLogP of 4.54, 7 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)-3-cyclobutyl-N-propylpropan-2-amine is sourced from PubChem (CID 103169196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).