N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

C29H23N3OS — CID 100598169

IUPACN-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23N3OS/c33-27(32-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24)19-21-11-13-22(14-12-21)26-20-34-29(31-26)25-15-17-30-18-16-25/h1-18,20,28H,19H2,(H,32,33)
InChIKeyQILFGAYWLHYJRK-UHFFFAOYSA-N
MW461.59 g/mol
LogP6.32
Rot. Bonds7

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

N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 100598169) has the molecular formula C29H23N3OS and a molecular weight of 461.59 g/mol. Its IUPAC name is N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID100598169
Molecular FormulaC29H23N3OS
Molecular Weight461.59 g/mol
Exact Mass461.16
IUPAC NameN-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23N3OS/c33-27(32-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24)19-21-11-13-22(14-12-21)26-20-34-29(31-26)25-15-17-30-18-16-25/h1-18,20,28H,19H2,(H,32,33)
InChIKeyQILFGAYWLHYJRK-UHFFFAOYSA-N
XLogP6.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597375
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 93191640
N-(3,5-dimethylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597321
N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597836
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
CID 100597759
2-(4-butylphenyl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 60521938
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 100598169) is N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is QILFGAYWLHYJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3OS/c33-27(32-28(23-7-3-1-4-8-23)24-9-5-2-6-10-24)19-21-11-13-22(14-12-21)26-20-34-29(31-26)25-15-17-30-18-16-25/h1-18,20,28H,19H2,(H,32,33).
What are the key properties of N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 461.59 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 100598169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).