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

C21H21N3S — CID 147713583

IUPAC4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nc(C)cs4)cc3c2C(C)C)ccn1
InChIInChI=1S/C21H21N3S/c1-12(2)19-17-10-16(21-23-14(4)11-25-21)5-6-18(17)24-20(19)15-7-8-22-13(3)9-15/h5-12,24H,1-4H3
InChIKeyGVEODENPALHJKZ-UHFFFAOYSA-N
MW347.49 g/mol
LogP6.09
Rot. Bonds3

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

4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole (PubChem CID 147713583) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole
PubChem CID147713583
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC Name4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nc(C)cs4)cc3c2C(C)C)ccn1
InChIInChI=1S/C21H21N3S/c1-12(2)19-17-10-16(21-23-14(4)11-25-21)5-6-18(17)24-20(19)15-7-8-22-13(3)9-15/h5-12,24H,1-4H3
InChIKeyGVEODENPALHJKZ-UHFFFAOYSA-N
XLogP6.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.49
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole (CID 147713583) is 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole is Cc1cc(-c2[nH]c3ccc(-c4nc(C)cs4)cc3c2C(C)C)ccn1.
What is the InChIKey of 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole?
The InChIKey is GVEODENPALHJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3S/c1-12(2)19-17-10-16(21-23-14(4)11-25-21)5-6-18(17)24-20(19)15-7-8-22-13(3)9-15/h5-12,24H,1-4H3.
What are the key properties of 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole?
4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole has a molecular weight of 347.49 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3-thiazole is sourced from PubChem (CID 147713583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).