N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C25H30N4O2S — CID 3221382

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)cc(N(C(=O)c2sc(C)nc2C)C(C(=O)NC(C)(C)C)c2ccncc2)c1
InChIInChI=1S/C25H30N4O2S/c1-15-12-16(2)14-20(13-15)29(24(31)22-17(3)27-18(4)32-22)21(19-8-10-26-11-9-19)23(30)28-25(5,6)7/h8-14,21H,1-7H3,(H,28,30)
InChIKeyQCKFFQNCAGLXRU-UHFFFAOYSA-N
MW450.61 g/mol
LogP5.07
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 3221382) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID3221382
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)cc(N(C(=O)c2sc(C)nc2C)C(C(=O)NC(C)(C)C)c2ccncc2)c1
InChIInChI=1S/C25H30N4O2S/c1-15-12-16(2)14-20(13-15)29(24(31)22-17(3)27-18(4)32-22)21(19-8-10-26-11-9-19)23(30)28-25(5,6)7/h8-14,21H,1-7H3,(H,28,30)
InChIKeyQCKFFQNCAGLXRU-UHFFFAOYSA-N
XLogP5.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-6-(4-methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10127012
7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
N,N-diethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxamide
CID 10237742
7-(Piperidin-1-ylcarbonyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638596
N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-7-carboxamide
CID 23527337
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843
N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644852
(4-Methyl-1,3-thiazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56668893
N-(3-methylphenyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9209264
N-(3,5-dimethylphenyl)-2-[(2-methyl-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 9975965

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 3221382) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1cc(C)cc(N(C(=O)c2sc(C)nc2C)C(C(=O)NC(C)(C)C)c2ccncc2)c1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QCKFFQNCAGLXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-15-12-16(2)14-20(13-15)29(24(31)22-17(3)27-18(4)32-22)21(19-8-10-26-11-9-19)23(30)28-25(5,6)7/h8-14,21H,1-7H3,(H,28,30).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3221382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).