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

C25H30N4O2S — CID 3226686

IUPAC2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(C)cc1
InChIInChI=1S/C25H30N4O2S/c1-7-25(5,6)28-23(30)21(19-12-14-26-15-13-19)29(20-10-8-16(2)9-11-20)24(31)22-17(3)27-18(4)32-22/h8-15,21H,7H2,1-6H3,(H,28,30)
InChIKeyPCWAJVVIRWHTMN-UHFFFAOYSA-N
MW450.61 g/mol
LogP5.16
Rot. Bonds7

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

2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 3226686) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID3226686
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(C)cc1
InChIInChI=1S/C25H30N4O2S/c1-7-25(5,6)28-23(30)21(19-12-14-26-15-13-19)29(20-10-8-16(2)9-11-20)24(31)22-17(3)27-18(4)32-22/h8-15,21H,7H2,1-6H3,(H,28,30)
InChIKeyPCWAJVVIRWHTMN-UHFFFAOYSA-N
XLogP5.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (CID 3226686) is 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is CCC(C)(C)NC(=O)C(c1ccncc1)N(C(=O)c1sc(C)nc1C)c1ccc(C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PCWAJVVIRWHTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-7-25(5,6)28-23(30)21(19-12-14-26-15-13-19)29(20-10-8-16(2)9-11-20)24(31)22-17(3)27-18(4)32-22/h8-15,21H,7H2,1-6H3,(H,28,30).
What are the key properties of 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3226686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).