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

C18H19N3S — CID 44523476

IUPAC4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
SMILESCc1csc(-c2ccc3[nH]cc(C4=CCN(C)CC4)c3c2)n1
InChIInChI=1S/C18H19N3S/c1-12-11-22-18(20-12)14-3-4-17-15(9-14)16(10-19-17)13-5-7-21(2)8-6-13/h3-5,9-11,19H,6-8H2,1-2H3
InChIKeyISVSIPAWTATRRQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.32
Rot. Bonds2

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

4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole (PubChem CID 44523476) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
PubChem CID44523476
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
SMILESCc1csc(-c2ccc3[nH]cc(C4=CCN(C)CC4)c3c2)n1
InChIInChI=1S/C18H19N3S/c1-12-11-22-18(20-12)14-3-4-17-15(9-14)16(10-19-17)13-5-7-21(2)8-6-13/h3-5,9-11,19H,6-8H2,1-2H3
InChIKeyISVSIPAWTATRRQ-UHFFFAOYSA-N
XLogP4.32
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole (CID 44523476) is 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole is Cc1csc(-c2ccc3[nH]cc(C4=CCN(C)CC4)c3c2)n1.
What is the InChIKey of 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole?
The InChIKey is ISVSIPAWTATRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-12-11-22-18(20-12)14-3-4-17-15(9-14)16(10-19-17)13-5-7-21(2)8-6-13/h3-5,9-11,19H,6-8H2,1-2H3.
What are the key properties of 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole?
4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole has a molecular weight of 309.44 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole is sourced from PubChem (CID 44523476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).