ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate

C20H19ClN2O2S — CID 118709538

IUPACethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)OCC)s2)ccn1
InChIInChI=1S/C20H19ClN2O2S/c1-3-5-16-12-14(10-11-22-16)19-23-17(13-6-8-15(21)9-7-13)18(26-19)20(24)25-4-2/h6-12H,3-5H2,1-2H3
InChIKeyRRGOCTFETJYTFC-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.65
Rot. Bonds6

About ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate

ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate (PubChem CID 118709538) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate
PubChem CID118709538
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Nameethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate
SMILESCCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)OCC)s2)ccn1
InChIInChI=1S/C20H19ClN2O2S/c1-3-5-16-12-14(10-11-22-16)19-23-17(13-6-8-15(21)9-7-13)18(26-19)20(24)25-4-2/h6-12H,3-5H2,1-2H3
InChIKeyRRGOCTFETJYTFC-UHFFFAOYSA-N
XLogP5.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
5-Methyl-2-(2-pyridinyl)-1,3-thiazol-4-yl 4-chlorobenzenecarboxylate
CID 3801800
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-(2-chloro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643519
4-(4-Chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 118709539
4-(4-Chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 118709540
Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate
CID 619089
4-Chlorobenzoic acid (5-methyl-2-pyridin-4-yl-4-thiazolyl) ester
CID 3262583
Ethyl 4-(2-chloro-4-fluorophenyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643516
Ethyl 4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
CID 90643520

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate (CID 118709538) is ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate is CCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)OCC)s2)ccn1.
What is the InChIKey of ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate?
The InChIKey is RRGOCTFETJYTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-3-5-16-12-14(10-11-22-16)19-23-17(13-6-8-15(21)9-7-13)18(26-19)20(24)25-4-2/h6-12H,3-5H2,1-2H3.
What are the key properties of ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate?
ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate has a molecular weight of 386.90 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 118709538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).