2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

C33H25Cl2N7O4S2 — CID 159813555

IUPAC2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(C(=O)O)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(N)s2)ccn1
InChIInChI=1S/C17H12ClN3O3S.C16H13ClN4OS/c1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(25-16)17(23)24)11-4-2-3-5-12(11)18;1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(18)23-16)11-4-2-3-5-12(11)17/h2-8H,1H3,(H,23,24)(H,19,20,22);2-8H,18H2,1H3,(H,19,20,22)
InChIKeyNLIIKKKPYVFELI-UHFFFAOYSA-N
MW718.65 g/mol
LogP8.25
Rot. Bonds7

About 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide

2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (PubChem CID 159813555) has the molecular formula C33H25Cl2N7O4S2 and a molecular weight of 718.65 g/mol. Its IUPAC name is 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
PubChem CID159813555
Molecular FormulaC33H25Cl2N7O4S2
Molecular Weight718.65 g/mol
Exact Mass717.08
IUPAC Name2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(C(=O)O)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(N)s2)ccn1
InChIInChI=1S/C17H12ClN3O3S.C16H13ClN4OS/c1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(25-16)17(23)24)11-4-2-3-5-12(11)18;1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(18)23-16)11-4-2-3-5-12(11)17/h2-8H,1H3,(H,23,24)(H,19,20,22);2-8H,18H2,1H3,(H,19,20,22)
InChIKeyNLIIKKKPYVFELI-UHFFFAOYSA-N
XLogP8.25
TPSA173.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.65
LogP ≤ 58.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

4-(4-Chlorophenyl)-2-[(5-methylpyrazine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(trifluoromethyl)pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid
CID 161561792
2-[2-(Acetylamino)pyridin-4-yl]-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58094964
Ethyl 2-[2-(acetylamino)pyridin-4-yl]-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 58095112
2-(2-Acetamido-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 66855662
4-Phenyl-2-[(6-pyridin-2-ylpyrazin-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 145788981
2-(2-Acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 157749096
2-(2-Acetamido-6-methyl-4-pyridinyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 157997815
2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 158319822
2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;2-aminoethanol;N-[4-[4-(2-chlorophenyl)-5-(4-hydroxybutanoyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide
CID 160437362
2-(2-Methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 161215632
sodium;4-(3,4-dichlorophenyl)-N-(2-isocyano-3-pyridinyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine;3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid;hydroxide
CID 167570462
3-[[4-(3-Chloro-4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-pyridin-3-ylthiophene-2-carboxylic acid
CID 170206012

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide (CID 159813555) is 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(C(=O)O)s2)ccn1.CC(=O)Nc1cc(-c2nc(-c3ccccc3Cl)c(N)s2)ccn1.
What is the InChIKey of 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
The InChIKey is NLIIKKKPYVFELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S.C16H13ClN4OS/c1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(25-16)17(23)24)11-4-2-3-5-12(11)18;1-9(22)20-13-8-10(6-7-19-13)16-21-14(15(18)23-16)11-4-2-3-5-12(11)17/h2-8H,1H3,(H,23,24)(H,19,20,22);2-8H,18H2,1H3,(H,19,20,22).
What are the key properties of 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide?
2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide has a molecular weight of 718.65 g/mol, XLogP of 8.25, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylic acid;N-[4-[5-amino-4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159813555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).