N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine

C18H21N3S — CID 133292561

IUPACN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
SMILESCC(Nc1ccc2ccccc2n1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C18H21N3S/c1-12(17-21-15(11-22-17)18(2,3)4)19-16-10-9-13-7-5-6-8-14(13)20-16/h5-12H,1-4H3,(H,19,20)
InChIKeyQZYAGGMZOHQLJT-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.16
Rot. Bonds3

About N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine (PubChem CID 133292561) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
PubChem CID133292561
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
SMILESCC(Nc1ccc2ccccc2n1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C18H21N3S/c1-12(17-21-15(11-22-17)18(2,3)4)19-16-10-9-13-7-5-6-8-14(13)20-16/h5-12H,1-4H3,(H,19,20)
InChIKeyQZYAGGMZOHQLJT-UHFFFAOYSA-N
XLogP5.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 63090359
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 115681209
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
CID 133292488
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine
CID 60651617
N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine
CID 60644870
2-tert-butylquinoline;methane
CID 164995315
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
CID 61334246
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-methyl-4-nitroaniline
CID 133292536
4-N-quinolin-2-ylpentane-2,4-diamine
CID 113376889
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine?
The IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine (CID 133292561) is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine.
What is the SMILES notation for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine?
The canonical SMILES for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine is CC(Nc1ccc2ccccc2n1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine?
The InChIKey is QZYAGGMZOHQLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-12(17-21-15(11-22-17)18(2,3)4)19-16-10-9-13-7-5-6-8-14(13)20-16/h5-12H,1-4H3,(H,19,20).
What are the key properties of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine?
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine has a molecular weight of 311.45 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine is sourced from PubChem (CID 133292561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).