N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C20H20N4O2S2 — CID 122589319

IUPACN-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCCc2cc(-c3csc(NC(=O)c4sc(C)nc4C)n3)ccc21
InChIInChI=1S/C20H20N4O2S2/c1-11-18(28-12(2)21-11)19(26)23-20-22-16(10-27-20)14-6-7-17-15(9-14)5-4-8-24(17)13(3)25/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,23,26)
InChIKeyZOWHAPOGHVWQGU-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.43
Rot. Bonds3

About N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 122589319) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID122589319
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCCc2cc(-c3csc(NC(=O)c4sc(C)nc4C)n3)ccc21
InChIInChI=1S/C20H20N4O2S2/c1-11-18(28-12(2)21-11)19(26)23-20-22-16(10-27-20)14-6-7-17-15(9-14)5-4-8-24(17)13(3)25/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,23,26)
InChIKeyZOWHAPOGHVWQGU-UHFFFAOYSA-N
XLogP4.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1458222
2,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16644283
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 1458291
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 39073464
N-[4-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 46950967
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 39073469
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 53347968
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26783293
1-acetyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 36538459
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-2,3,4-trifluorobenzamide
CID 39073636
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 53348009

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 122589319) is N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is CC(=O)N1CCCc2cc(-c3csc(NC(=O)c4sc(C)nc4C)n3)ccc21.
What is the InChIKey of N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZOWHAPOGHVWQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-11-18(28-12(2)21-11)19(26)23-20-22-16(10-27-20)14-6-7-17-15(9-14)5-4-8-24(17)13(3)25/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,23,26).
What are the key properties of N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122589319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).