4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid

C18H15ClN2O2S — CID 118709540

IUPAC4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)O)s2)ccn1
InChIInChI=1S/C18H15ClN2O2S/c1-2-3-14-10-12(8-9-20-14)17-21-15(16(24-17)18(22)23)11-4-6-13(19)7-5-11/h4-10H,2-3H2,1H3,(H,22,23)
InChIKeyVAEAIKMOSDPPMM-UHFFFAOYSA-N
MW358.85 g/mol
LogP5.18
Rot. Bonds5

About 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid

4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 118709540) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
PubChem CID118709540
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)O)s2)ccn1
InChIInChI=1S/C18H15ClN2O2S/c1-2-3-14-10-12(8-9-20-14)17-21-15(16(24-17)18(22)23)11-4-6-13(19)7-5-11/h4-10H,2-3H2,1H3,(H,22,23)
InChIKeyVAEAIKMOSDPPMM-UHFFFAOYSA-N
XLogP5.18
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.85
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
2-(4-(4-Chlorophenyl)-2-(phenyl(pyridin-2-yl)methyl)thiazol-5-yl)acetic acid
CID 46230187
3-[3-[(E)-2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethenyl]piperidin-1-yl]benzoic acid
CID 57392587
3-[3-[2-[2-(4-Chlorophenyl)-4-methylthiazol-5-yl]ethyl]piperidin-1-yl]benzoic acid
CID 57394350
4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 2763489
Ethyl 4-(2-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643515
Ethyl 4-(2,3-dichlorophenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643517
Ethyl 4-(2,4-dichlorophenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643518
Ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate
CID 118709538
4-(4-Chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 118709539
4-(4-Chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
CID 67203703

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid (CID 118709540) is 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid is CCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)O)s2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is VAEAIKMOSDPPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-2-3-14-10-12(8-9-20-14)17-21-15(16(24-17)18(22)23)11-4-6-13(19)7-5-11/h4-10H,2-3H2,1H3,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid?
4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 358.85 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 118709540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).