2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole

C20H19N3S — CID 151944290

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nccs4)cc3c2C(C)C)ccn1
InChIInChI=1S/C20H19N3S/c1-12(2)18-16-11-15(20-22-8-9-24-20)4-5-17(16)23-19(18)14-6-7-21-13(3)10-14/h4-12,23H,1-3H3
InChIKeyTVIGSKORCUWKMV-UHFFFAOYSA-N
MW333.46 g/mol
LogP5.79
Rot. Bonds3

About 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole (PubChem CID 151944290) has the molecular formula C20H19N3S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole
PubChem CID151944290
Molecular FormulaC20H19N3S
Molecular Weight333.46 g/mol
Exact Mass333.13
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nccs4)cc3c2C(C)C)ccn1
InChIInChI=1S/C20H19N3S/c1-12(2)18-16-11-15(20-22-8-9-24-20)4-5-17(16)23-19(18)14-6-7-21-13(3)10-14/h4-12,23H,1-3H3
InChIKeyTVIGSKORCUWKMV-UHFFFAOYSA-N
XLogP5.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole (CID 151944290) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole is Cc1cc(-c2[nH]c3ccc(-c4nccs4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole?
The InChIKey is TVIGSKORCUWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3S/c1-12(2)18-16-11-15(20-22-8-9-24-20)4-5-17(16)23-19(18)14-6-7-21-13(3)10-14/h4-12,23H,1-3H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole has a molecular weight of 333.46 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole is sourced from PubChem (CID 151944290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).