[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone

C15H13N3OS — CID 116585498

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone
SMILESNCCc1nc(C(=O)c2ccc3ncccc3c2)cs1
InChIInChI=1S/C15H13N3OS/c16-6-5-14-18-13(9-20-14)15(19)11-3-4-12-10(8-11)2-1-7-17-12/h1-4,7-9H,5-6,16H2
InChIKeyISVJFJXEKYRPRD-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.42
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone (PubChem CID 116585498) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone
PubChem CID116585498
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone
SMILESNCCc1nc(C(=O)c2ccc3ncccc3c2)cs1
InChIInChI=1S/C15H13N3OS/c16-6-5-14-18-13(9-20-14)15(19)11-3-4-12-10(8-11)2-1-7-17-12/h1-4,7-9H,5-6,16H2
InChIKeyISVJFJXEKYRPRD-UHFFFAOYSA-N
XLogP2.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
quinolin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105121566
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone
CID 116575719
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide
CID 129052515
1-benzothiophen-2-yl(quinolin-6-yl)methanone
CID 115790588

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone (CID 116585498) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone is NCCc1nc(C(=O)c2ccc3ncccc3c2)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone?
The InChIKey is ISVJFJXEKYRPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-6-5-14-18-13(9-20-14)15(19)11-3-4-12-10(8-11)2-1-7-17-12/h1-4,7-9H,5-6,16H2.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone has a molecular weight of 283.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 116585498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).