2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone

C14H11N3OS — CID 116575719

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone
SMILESNc1nc(CC(=O)c2ccc3ncccc3c2)cs1
InChIInChI=1S/C14H11N3OS/c15-14-17-11(8-19-14)7-13(18)10-3-4-12-9(6-10)2-1-5-16-12/h1-6,8H,7H2,(H2,15,17)
InChIKeyCGQNUSGDEDAXRW-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.70
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone

2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone (PubChem CID 116575719) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone
PubChem CID116575719
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone
SMILESNc1nc(CC(=O)c2ccc3ncccc3c2)cs1
InChIInChI=1S/C14H11N3OS/c15-14-17-11(8-19-14)7-13(18)10-3-4-12-9(6-10)2-1-5-16-12/h1-6,8H,7H2,(H2,15,17)
InChIKeyCGQNUSGDEDAXRW-UHFFFAOYSA-N
XLogP2.70
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone
CID 116575762
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
5-amino-1-quinolin-6-ylpentan-1-one
CID 116572003
2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
methyl 2-(2-quinolin-6-yl-1,3-thiazol-4-yl)acetate
CID 80574366
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
1-(3-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116548654
2-(2-amino-1,3-thiazol-4-yl)-1-(3,5-dimethoxyphenyl)ethanone
CID 116575716
2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone
CID 79699269
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
ethane;quinoline-6-carboxylic acid
CID 91364452

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone (CID 116575719) is 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone is Nc1nc(CC(=O)c2ccc3ncccc3c2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone?
The InChIKey is CGQNUSGDEDAXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-14-17-11(8-19-14)7-13(18)10-3-4-12-9(6-10)2-1-5-16-12/h1-6,8H,7H2,(H2,15,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone has a molecular weight of 269.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-quinolin-6-ylethanone is sourced from PubChem (CID 116575719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).