4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

C25H24N4OS — CID 110492839

IUPAC4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)cc1
InChIInChI=1S/C25H24N4OS/c1-25(2,3)19-6-4-18(5-7-19)23(30)27-20-8-10-21(11-9-20)28-24-29-22(16-31-24)17-12-14-26-15-13-17/h4-16H,1-3H3,(H,27,30)(H,28,29)
InChIKeyLDGGSKMKLMVMAJ-UHFFFAOYSA-N
MW428.56 g/mol
LogP6.50
Rot. Bonds5

About 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide

4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (PubChem CID 110492839) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
PubChem CID110492839
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)cc1
InChIInChI=1S/C25H24N4OS/c1-25(2,3)19-6-4-18(5-7-19)23(30)27-20-8-10-21(11-9-20)28-24-29-22(16-31-24)17-12-14-26-15-13-17/h4-16H,1-3H3,(H,27,30)(H,28,29)
InChIKeyLDGGSKMKLMVMAJ-UHFFFAOYSA-N
XLogP6.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492854
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785
3,5-dinitro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492904
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
3-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]but-2-enamide
CID 110492935
2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492826
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (CID 110492839) is 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(Nc3nc(-c4ccncc4)cs3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The InChIKey is LDGGSKMKLMVMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-25(2,3)19-6-4-18(5-7-19)23(30)27-20-8-10-21(11-9-20)28-24-29-22(16-31-24)17-12-14-26-15-13-17/h4-16H,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide has a molecular weight of 428.56 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 110492839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).