N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide

C21H18N4O4S — CID 166687160

IUPACN-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)C(=O)COC4)n2)n1
InChIInChI=1S/C21H18N4O4S/c1-12-3-2-4-16(23-12)17-11-30-21(24-17)25-19(27)8-22-20(28)13-5-6-14-9-29-10-18(26)15(14)7-13/h2-7,11H,8-10H2,1H3,(H,22,28)(H,24,25,27)
InChIKeyBMLOHJLEFJLCDZ-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.59
Rot. Bonds5

About N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide

N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide (PubChem CID 166687160) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide
PubChem CID166687160
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)C(=O)COC4)n2)n1
InChIInChI=1S/C21H18N4O4S/c1-12-3-2-4-16(23-12)17-11-30-21(24-17)25-19(27)8-22-20(28)13-5-6-14-9-29-10-18(26)15(14)7-13/h2-7,11H,8-10H2,1H3,(H,22,28)(H,24,25,27)
InChIKeyBMLOHJLEFJLCDZ-UHFFFAOYSA-N
XLogP2.59
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 175371472
(4R)-4-cyano-4-methyl-N-[2-[[4-[6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-dihydroisochromene-6-carboxamide
CID 166521631
4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide
CID 166172269
N-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 112805403
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55976415
3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 112821673
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-3-trimethylsilylbenzamide
CID 166521641
1-tert-butyl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;3,5,6-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 154667703
2-butan-2-yloxy-4-methylhexane;1-(3-methyloxetan-3-yl)-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
CID 154667609
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
3,5-dimethyl-N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46667813

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide?
The IUPAC name of N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide (CID 166687160) is N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide.
What is the SMILES notation for N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide?
The canonical SMILES for N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide is Cc1cccc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)C(=O)COC4)n2)n1.
What is the InChIKey of N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide?
The InChIKey is BMLOHJLEFJLCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-12-3-2-4-16(23-12)17-11-30-21(24-17)25-19(27)8-22-20(28)13-5-6-14-9-29-10-18(26)15(14)7-13/h2-7,11H,8-10H2,1H3,(H,22,28)(H,24,25,27).
What are the key properties of N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide?
N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxo-1H-isochromene-6-carboxamide is sourced from PubChem (CID 166687160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).