2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole

C19H21N3S — CID 39998326

IUPAC2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cs1
InChIInChI=1S/C19H21N3S/c1-2-19-21-15(13-23-19)12-22-9-7-14(8-10-22)17-11-20-18-6-4-3-5-16(17)18/h3-7,11,13,20H,2,8-10,12H2,1H3
InChIKeyBNCICGCXUQPXKE-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.48
Rot. Bonds4

About 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole

2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole (PubChem CID 39998326) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole
PubChem CID39998326
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cs1
InChIInChI=1S/C19H21N3S/c1-2-19-21-15(13-23-19)12-22-9-7-14(8-10-22)17-11-20-18-6-4-3-5-16(17)18/h3-7,11,13,20H,2,8-10,12H2,1H3
InChIKeyBNCICGCXUQPXKE-UHFFFAOYSA-N
XLogP4.48
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole (CID 39998326) is 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole is CCc1nc(CN2CC=C(c3c[nH]c4ccccc34)CC2)cs1.
What is the InChIKey of 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BNCICGCXUQPXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-2-19-21-15(13-23-19)12-22-9-7-14(8-10-22)17-11-20-18-6-4-3-5-16(17)18/h3-7,11,13,20H,2,8-10,12H2,1H3.
What are the key properties of 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole?
2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole has a molecular weight of 323.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 39998326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).