N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide

C24H27FN4O2S — CID 3226656

IUPACN-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O2S/c1-6-24(4,5)28-22(30)20(17-11-13-26-14-12-17)29(19-9-7-18(25)8-10-19)23(31)21-15(2)27-16(3)32-21/h7-14,20H,6H2,1-5H3,(H,28,30)
InChIKeyQJOXSCYDTKIZRQ-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.99
Rot. Bonds7

About N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide

N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 3226656) has the molecular formula C24H27FN4O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
PubChem CID3226656
Molecular FormulaC24H27FN4O2S
Molecular Weight454.57 g/mol
Exact Mass454.18
IUPAC NameN-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(F)cc1
InChIInChI=1S/C24H27FN4O2S/c1-6-24(4,5)28-22(30)20(17-11-13-26-14-12-17)29(19-9-7-18(25)8-10-19)23(31)21-15(2)27-16(3)32-21/h7-14,20H,6H2,1-5H3,(H,28,30)
InChIKeyQJOXSCYDTKIZRQ-UHFFFAOYSA-N
XLogP4.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221828
4-amino-5-N-[(1S)-1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40616751
4-amino-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40616698
N-(4-fluorophenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 3215354
N-(4-ethylphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide
CID 3221941
N'-(4-fluorophenyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 25318108
N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-ethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 25315464
N-[2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 3215380
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 1459374
N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 4603905
N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 1457919
4-amino-5-N-[(1R)-1-(4-hydroxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40616682

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide (CID 3226656) is N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide is CCC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QJOXSCYDTKIZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2S/c1-6-24(4,5)28-22(30)20(17-11-13-26-14-12-17)29(19-9-7-18(25)8-10-19)23(31)21-15(2)27-16(3)32-21/h7-14,20H,6H2,1-5H3,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide?
N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3226656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).