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

C18H17ClN2S — CID 118709537

IUPAC4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)ccn1
InChIInChI=1S/C18H17ClN2S/c1-3-4-16-11-14(9-10-20-16)18-21-17(12(2)22-18)13-5-7-15(19)8-6-13/h5-11H,3-4H2,1-2H3
InChIKeyYNJOUQSEOSVLRB-UHFFFAOYSA-N
MW328.87 g/mol
LogP5.79
Rot. Bonds4

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

4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 118709537) has the molecular formula C18H17ClN2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID118709537
Molecular FormulaC18H17ClN2S
Molecular Weight328.87 g/mol
Exact Mass328.08
IUPAC Name4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)ccn1
InChIInChI=1S/C18H17ClN2S/c1-3-4-16-11-14(9-10-20-16)18-21-17(12(2)22-18)13-5-7-15(19)8-6-13/h5-11H,3-4H2,1-2H3
InChIKeyYNJOUQSEOSVLRB-UHFFFAOYSA-N
XLogP5.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.87
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 118709537) is 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C)s2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is YNJOUQSEOSVLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2S/c1-3-4-16-11-14(9-10-20-16)18-21-17(12(2)22-18)13-5-7-15(19)8-6-13/h5-11H,3-4H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 328.87 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).