2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane

C24H23Cl2N3O2S2 — CID 167489803

IUPAC2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
SMILESCC.CC(C)c1nc(Nc2ncc(-c3cccs3)cc2C(=O)O)sc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl2N3O2S2.C2H6/c1-11(2)18-19(12-5-6-15(23)16(24)9-12)31-22(26-18)27-20-14(21(28)29)8-13(10-25-20)17-4-3-7-30-17;1-2/h3-11H,1-2H3,(H,28,29)(H,25,26,27);1-2H3
InChIKeyDAGLVAVGWLULDU-UHFFFAOYSA-N
MW520.51 g/mol
LogP8.83
Rot. Bonds6

About 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane

2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane (PubChem CID 167489803) has the molecular formula C24H23Cl2N3O2S2 and a molecular weight of 520.51 g/mol. Its IUPAC name is 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
PubChem CID167489803
Molecular FormulaC24H23Cl2N3O2S2
Molecular Weight520.51 g/mol
Exact Mass519.06
IUPAC Name2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
SMILESCC.CC(C)c1nc(Nc2ncc(-c3cccs3)cc2C(=O)O)sc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl2N3O2S2.C2H6/c1-11(2)18-19(12-5-6-15(23)16(24)9-12)31-22(26-18)27-20-14(21(28)29)8-13(10-25-20)17-4-3-7-30-17;1-2/h3-11H,1-2H3,(H,28,29)(H,25,26,27);1-2H3
InChIKeyDAGLVAVGWLULDU-UHFFFAOYSA-N
XLogP8.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.51
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
CID 156849738
2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 156849739
2-[[4-methyl-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 171646447
2-[[4-[4-chloro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489081
2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(3-fluorophenyl)pyridine-3-carboxylic acid
CID 156849628
2-[[5-(5-phenylthiophen-2-yl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 167489841
2-[[4-(3-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489216
ethane;methyl 2-[[4-(3-methylbutyl)-5-(4-methylsulfinylphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylate
CID 167489862
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine
CID 167489379
2-[[5-(2-methylpropyl)-4-(3-propoxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 168739584
5-benzyl-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 156849750

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane?
The IUPAC name of 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane (CID 167489803) is 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane?
The canonical SMILES for 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane is CC.CC(C)c1nc(Nc2ncc(-c3cccs3)cc2C(=O)O)sc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane?
The InChIKey is DAGLVAVGWLULDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2S2.C2H6/c1-11(2)18-19(12-5-6-15(23)16(24)9-12)31-22(26-18)27-20-14(21(28)29)8-13(10-25-20)17-4-3-7-30-17;1-2/h3-11H,1-2H3,(H,28,29)(H,25,26,27);1-2H3.
What are the key properties of 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane?
2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane has a molecular weight of 520.51 g/mol, XLogP of 8.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 167489803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).