4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole

C18H19N3S — CID 14810922

IUPAC4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole
SMILESCN1CCC=C(c2csc(-c3cn(C)c4ccccc34)n2)C1
InChIInChI=1S/C18H19N3S/c1-20-9-5-6-13(10-20)16-12-22-18(19-16)15-11-21(2)17-8-4-3-7-14(15)17/h3-4,6-8,11-12H,5,9-10H2,1-2H3
InChIKeyQTYTVEHIBKYATA-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.02
Rot. Bonds2

About 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole

4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole (PubChem CID 14810922) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole
PubChem CID14810922
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole
SMILESCN1CCC=C(c2csc(-c3cn(C)c4ccccc34)n2)C1
InChIInChI=1S/C18H19N3S/c1-20-9-5-6-13(10-20)16-12-22-18(19-16)15-11-21(2)17-8-4-3-7-14(15)17/h3-4,6-8,11-12H,5,9-10H2,1-2H3
InChIKeyQTYTVEHIBKYATA-UHFFFAOYSA-N
XLogP4.02
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole with MolForge

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Related Compounds

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2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
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1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
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dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole (CID 14810922) is 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole is CN1CCC=C(c2csc(-c3cn(C)c4ccccc34)n2)C1.
What is the InChIKey of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole?
The InChIKey is QTYTVEHIBKYATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-20-9-5-6-13(10-20)16-12-22-18(19-16)15-11-21(2)17-8-4-3-7-14(15)17/h3-4,6-8,11-12H,5,9-10H2,1-2H3.
What are the key properties of 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole?
4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole has a molecular weight of 309.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2-(1-methylindol-3-yl)-1,3-thiazole is sourced from PubChem (CID 14810922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).