N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

C23H18ClN3OS — CID 100597512

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C23H18ClN3OS/c1-15-2-7-19(24)13-20(15)26-22(28)12-16-3-5-17(6-4-16)21-14-29-23(27-21)18-8-10-25-11-9-18/h2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeyVCNSTUCJPKPPIM-UHFFFAOYSA-N
MW419.94 g/mol
LogP6.02
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 100597512) has the molecular formula C23H18ClN3OS and a molecular weight of 419.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID100597512
Molecular FormulaC23H18ClN3OS
Molecular Weight419.94 g/mol
Exact Mass419.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C23H18ClN3OS/c1-15-2-7-19(24)13-20(15)26-22(28)12-16-3-5-17(6-4-16)21-14-29-23(27-21)18-8-10-25-11-9-18/h2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeyVCNSTUCJPKPPIM-UHFFFAOYSA-N
XLogP6.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597321
N-naphthalen-1-yl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597375
methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
CID 100597759
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
N-(5-chloro-2-methylphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389683
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 93191640
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
N-(5-chloro-2-methylphenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5095676
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 100597512) is N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is VCNSTUCJPKPPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3OS/c1-15-2-7-19(24)13-20(15)26-22(28)12-16-3-5-17(6-4-16)21-14-29-23(27-21)18-8-10-25-11-9-18/h2-11,13-14H,12H2,1H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 419.94 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 100597512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).