2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole

C19H21N3S — CID 118709531

IUPAC2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2csc(-c3ccnc(CCC)c3)n2)ccn1
InChIInChI=1S/C19H21N3S/c1-3-5-16-11-14(7-9-20-16)18-13-23-19(22-18)15-8-10-21-17(12-15)6-4-2/h7-13H,3-6H2,1-2H3
InChIKeyZPWNQXMQHCPDQL-UHFFFAOYSA-N
MW323.46 g/mol
LogP5.17
Rot. Bonds6

About 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole

2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 118709531) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID118709531
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC Name2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2csc(-c3ccnc(CCC)c3)n2)ccn1
InChIInChI=1S/C19H21N3S/c1-3-5-16-11-14(7-9-20-16)18-13-23-19(22-18)15-8-10-21-17(12-15)6-4-2/h7-13H,3-6H2,1-2H3
InChIKeyZPWNQXMQHCPDQL-UHFFFAOYSA-N
XLogP5.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole (CID 118709531) is 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2csc(-c3ccnc(CCC)c3)n2)ccn1.
What is the InChIKey of 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is ZPWNQXMQHCPDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-3-5-16-11-14(7-9-20-16)18-13-23-19(22-18)15-8-10-21-17(12-15)6-4-2/h7-13H,3-6H2,1-2H3.
What are the key properties of 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole?
2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 323.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).