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

C25H26ClN3O3S2 — CID 156849738

IUPAC2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
SMILESCC.COc1ccc(-c2nc(Nc3ncc(-c4cccs4)cc3C(=O)O)sc2C(C)C)cc1Cl
InChIInChI=1S/C23H20ClN3O3S2.C2H6/c1-12(2)20-19(13-6-7-17(30-3)16(24)10-13)26-23(32-20)27-21-15(22(28)29)9-14(11-25-21)18-5-4-8-31-18;1-2/h4-12H,1-3H3,(H,28,29)(H,25,26,27);1-2H3
InChIKeyYCERJXRONACYFG-UHFFFAOYSA-N
MW516.09 g/mol
LogP8.19
Rot. Bonds7

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

2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane (PubChem CID 156849738) has the molecular formula C25H26ClN3O3S2 and a molecular weight of 516.09 g/mol. Its IUPAC name is 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
PubChem CID156849738
Molecular FormulaC25H26ClN3O3S2
Molecular Weight516.09 g/mol
Exact Mass515.11
IUPAC Name2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
SMILESCC.COc1ccc(-c2nc(Nc3ncc(-c4cccs4)cc3C(=O)O)sc2C(C)C)cc1Cl
InChIInChI=1S/C23H20ClN3O3S2.C2H6/c1-12(2)20-19(13-6-7-17(30-3)16(24)10-13)26-23(32-20)27-21-15(22(28)29)9-14(11-25-21)18-5-4-8-31-18;1-2/h4-12H,1-3H3,(H,28,29)(H,25,26,27);1-2H3
InChIKeyYCERJXRONACYFG-UHFFFAOYSA-N
XLogP8.19
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.09
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane with MolForge

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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
CID 156849739
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
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-[[5-(2,2-dimethylpropyl)-4-(4-fluoro-3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489210
2-[[4-(3-ethoxy-4-fluorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489216
5-benzyl-2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 156849750
ethane;methyl 2-[[4-(3,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-pyridin-2-ylpyridine-3-carboxylate
CID 156849088
2-[[4-methyl-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 171646447
2-[[5-cyclopropyl-4-[3-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 168739569
2-[[5-(2-methylpropyl)-4-(3-propoxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 168739584
2-[[4-[3-methoxy-5-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489191
2-[[5-cyclopropyl-4-(4-cyclopropyloxyphenyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 167489296

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane?
The IUPAC name of 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) is 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane?
The canonical SMILES for 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane is CC.COc1ccc(-c2nc(Nc3ncc(-c4cccs4)cc3C(=O)O)sc2C(C)C)cc1Cl.
What is the InChIKey of 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane?
The InChIKey is YCERJXRONACYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S2.C2H6/c1-12(2)20-19(13-6-7-17(30-3)16(24)10-13)26-23(32-20)27-21-15(22(28)29)9-14(11-25-21)18-5-4-8-31-18;1-2/h4-12H,1-3H3,(H,28,29)(H,25,26,27);1-2H3.
What are the key properties of 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane?
2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane has a molecular weight of 516.09 g/mol, XLogP of 8.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chloro-4-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 156849738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).