[2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone

C15H13N3OS — CID 116585816

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone
SMILESCC(N)c1nc(C(=O)c2cccc3cccnc23)cs1
InChIInChI=1S/C15H13N3OS/c1-9(16)15-18-12(8-20-15)14(19)11-6-2-4-10-5-3-7-17-13(10)11/h2-9H,16H2,1H3
InChIKeyKYYLKESITREXNR-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.94
Rot. Bonds3

About [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone (PubChem CID 116585816) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone
PubChem CID116585816
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone
SMILESCC(N)c1nc(C(=O)c2cccc3cccnc23)cs1
InChIInChI=1S/C15H13N3OS/c1-9(16)15-18-12(8-20-15)14(19)11-6-2-4-10-5-3-7-17-13(10)11/h2-9H,16H2,1H3
InChIKeyKYYLKESITREXNR-UHFFFAOYSA-N
XLogP2.94
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone
CID 116585656
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
2-(1-aminoethyl)-N-(3-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66388427
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
CID 116585796
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone
CID 116585880
(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone
CID 103407845
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389821
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 66389507
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone (CID 116585816) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone is CC(N)c1nc(C(=O)c2cccc3cccnc23)cs1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone?
The InChIKey is KYYLKESITREXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9(16)15-18-12(8-20-15)14(19)11-6-2-4-10-5-3-7-17-13(10)11/h2-9H,16H2,1H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone has a molecular weight of 283.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 116585816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).