1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C20H15FN4OS — CID 158981932

IUPAC1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C20H15FN4OS/c1-12-10-27-18(25-12)7-17(26)16-6-14(5-13-3-2-4-24-20(13)16)19(21)15-8-22-11-23-9-15/h2-6,8-11,19H,7H2,1H3
InChIKeyJPCNBQZQQXJMPB-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.27
Rot. Bonds5

About 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 158981932) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID158981932
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C20H15FN4OS/c1-12-10-27-18(25-12)7-17(26)16-6-14(5-13-3-2-4-24-20(13)16)19(21)15-8-22-11-23-9-15/h2-6,8-11,19H,7H2,1H3
InChIKeyJPCNBQZQQXJMPB-UHFFFAOYSA-N
XLogP4.27
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 91886057
N-[1-(4-acetylanilino)-6-methylisoquinolin-5-yl]-4-aminothieno[3,2-d]pyrimidine-7-carboxamide
CID 71622312
N-(4-(3-ethyl-2-fluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 44442628
N-(4-(3-butyl-2-fluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 44442629
N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
CID 118400857
6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 118400861
N-(4-methyl-1,3-thiazol-2-yl)-6-(1-pyrimidin-5-ylethyl)quinoline-8-carboxamide
CID 118400881
4-[[6-(5-Thiazolyl)-8-(trifluoromethyl)-4-quinazolinyl]amino]benzamide
CID 118736875
N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 66768120
4-[[3-(1,3-Thiazol-2-ylamino)phenyl]methylamino]quinazoline-8-carboxamide
CID 77014395
N-(4-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 2366877
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2608012

Frequently Asked Questions

What is the IUPAC name of 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 158981932) is 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)n1.
What is the InChIKey of 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is JPCNBQZQQXJMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-12-10-27-18(25-12)7-17(26)16-6-14(5-13-3-2-4-24-20(13)16)19(21)15-8-22-11-23-9-15/h2-6,8-11,19H,7H2,1H3.
What are the key properties of 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 378.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[fluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 158981932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).