6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide

C19H14FN5OS — CID 118400861

IUPAC6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C19H14FN5OS/c1-11-9-27-19(24-11)25-18(26)15-6-13(5-12-3-2-4-23-17(12)15)16(20)14-7-21-10-22-8-14/h2-10,16H,1H3,(H,24,25,26)
InChIKeyWGFRPZSHAGYGHR-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.10
Rot. Bonds4

About 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide

6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide (PubChem CID 118400861) has the molecular formula C19H14FN5OS and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound Name6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
PubChem CID118400861
Molecular FormulaC19H14FN5OS
Molecular Weight379.42 g/mol
Exact Mass379.09
IUPAC Name6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C19H14FN5OS/c1-11-9-27-19(24-11)25-18(26)15-6-13(5-12-3-2-4-23-17(12)15)16(20)14-7-21-10-22-8-14/h2-10,16H,1H3,(H,24,25,26)
InChIKeyWGFRPZSHAGYGHR-UHFFFAOYSA-N
XLogP4.10
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
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-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2574433
4-(pyrimidin-4-ylamino)-N-(4-(6-(trifluoromethyl)pyridin-2-yl)thiazol-2-yl)benzamide
CID 11503128
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11518228
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11531618
4-(6-(dimethylamino)pyrimidin-4-ylamino)-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
CID 11569630
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyrimidin-5-ylamino)benzamide
CID 11590686
N-(4-(2,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11596674
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyridin-4-ylamino)benzamide
CID 11612275

Frequently Asked Questions

What is the IUPAC name of 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The IUPAC name of 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide (CID 118400861) is 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The canonical SMILES for 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide is Cc1csc(NC(=O)c2cc(C(F)c3cncnc3)cc3cccnc23)n1.
What is the InChIKey of 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
The InChIKey is WGFRPZSHAGYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5OS/c1-11-9-27-19(24-11)25-18(26)15-6-13(5-12-3-2-4-23-17(12)15)16(20)14-7-21-10-22-8-14/h2-10,16H,1H3,(H,24,25,26).
What are the key properties of 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide?
6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[fluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 118400861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).