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

C24H28N4O2S — CID 3221381

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(N(C(=O)c2sc(C)nc2C)C(C(=O)NC(C)(C)C)c2ccncc2)cc1
InChIInChI=1S/C24H28N4O2S/c1-15-7-9-19(10-8-15)28(23(30)21-16(2)26-17(3)31-21)20(18-11-13-25-14-12-18)22(29)27-24(4,5)6/h7-14,20H,1-6H3,(H,27,29)
InChIKeyAAGQCZZVRMYKAD-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.77
Rot. Bonds5

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

N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 3221381) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID3221381
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(N(C(=O)c2sc(C)nc2C)C(C(=O)NC(C)(C)C)c2ccncc2)cc1
InChIInChI=1S/C24H28N4O2S/c1-15-7-9-19(10-8-15)28(23(30)21-16(2)26-17(3)31-21)20(18-11-13-25-14-12-18)22(29)27-24(4,5)6/h7-14,20H,1-6H3,(H,27,29)
InChIKeyAAGQCZZVRMYKAD-UHFFFAOYSA-N
XLogP4.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (CID 3221381) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(N(C(=O)c2sc(C)nc2C)C(C(=O)NC(C)(C)C)c2ccncc2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AAGQCZZVRMYKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-15-7-9-19(10-8-15)28(23(30)21-16(2)26-17(3)31-21)20(18-11-13-25-14-12-18)22(29)27-24(4,5)6/h7-14,20H,1-6H3,(H,27,29).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.77, 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]-2,4-dimethyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3221381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).