6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile

C20H21N5S — CID 133310578

IUPAC6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(N3CCN(c4nc(C)cs4)CC3)c2c1
InChIInChI=1S/C20H21N5S/c1-13-8-14(2)18-17(9-13)19(16(10-21)11-22-18)24-4-6-25(7-5-24)20-23-15(3)12-26-20/h8-9,11-12H,4-7H2,1-3H3
InChIKeyYEZOLEGBWSBOMM-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.81
Rot. Bonds2

About 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile

6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 133310578) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID133310578
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(N3CCN(c4nc(C)cs4)CC3)c2c1
InChIInChI=1S/C20H21N5S/c1-13-8-14(2)18-17(9-13)19(16(10-21)11-22-18)24-4-6-25(7-5-24)20-23-15(3)12-26-20/h8-9,11-12H,4-7H2,1-3H3
InChIKeyYEZOLEGBWSBOMM-UHFFFAOYSA-N
XLogP3.81
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile (CID 133310578) is 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile is Cc1cc(C)c2ncc(C#N)c(N3CCN(c4nc(C)cs4)CC3)c2c1.
What is the InChIKey of 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is YEZOLEGBWSBOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-13-8-14(2)18-17(9-13)19(16(10-21)11-22-18)24-4-6-25(7-5-24)20-23-15(3)12-26-20/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile?
6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 363.49 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133310578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).