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

C21H16N4OS — CID 110492822

IUPACN-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1ccccc1
InChIInChI=1S/C21H16N4OS/c26-20(16-4-2-1-3-5-16)23-17-6-8-18(9-7-17)24-21-25-19(14-27-21)15-10-12-22-13-11-15/h1-14H,(H,23,26)(H,24,25)
InChIKeyZTUGEXIIHJJBPN-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.20
Rot. Bonds5

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

N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (PubChem CID 110492822) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
PubChem CID110492822
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1ccccc1
InChIInChI=1S/C21H16N4OS/c26-20(16-4-2-1-3-5-16)23-17-6-8-18(9-7-17)24-21-25-19(14-27-21)15-10-12-22-13-11-15/h1-14H,(H,23,26)(H,24,25)
InChIKeyZTUGEXIIHJJBPN-UHFFFAOYSA-N
XLogP5.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492839
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
2-fluoro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492826
3,5-dinitro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492904
4-(dimethylsulfamoyl)-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492854
N-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide
CID 87967858
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
CID 88898768
1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231442
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide (CID 110492822) is N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is O=C(Nc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
The InChIKey is ZTUGEXIIHJJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-20(16-4-2-1-3-5-16)23-17-6-8-18(9-7-17)24-21-25-19(14-27-21)15-10-12-22-13-11-15/h1-14H,(H,23,26)(H,24,25).
What are the key properties of N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide?
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide has a molecular weight of 372.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 110492822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).