4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile

C22H25N5S — CID 133322008

IUPAC4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile
SMILESCCc1nc(CN2CCC(CNc3cc(C#N)nc4ccccc34)CC2)cs1
InChIInChI=1S/C22H25N5S/c1-2-22-26-18(15-28-22)14-27-9-7-16(8-10-27)13-24-21-11-17(12-23)25-20-6-4-3-5-19(20)21/h3-6,11,15-16H,2,7-10,13-14H2,1H3,(H,24,25)
InChIKeySRVRUOBBPKVEHC-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.45
Rot. Bonds6

About 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile

4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile (PubChem CID 133322008) has the molecular formula C22H25N5S and a molecular weight of 391.54 g/mol. Its IUPAC name is 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile
PubChem CID133322008
Molecular FormulaC22H25N5S
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC Name4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile
SMILESCCc1nc(CN2CCC(CNc3cc(C#N)nc4ccccc34)CC2)cs1
InChIInChI=1S/C22H25N5S/c1-2-22-26-18(15-28-22)14-27-9-7-16(8-10-27)13-24-21-11-17(12-23)25-20-6-4-3-5-19(20)21/h3-6,11,15-16H,2,7-10,13-14H2,1H3,(H,24,25)
InChIKeySRVRUOBBPKVEHC-UHFFFAOYSA-N
XLogP4.45
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile with MolForge

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Related Compounds

4-acetyl-2-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]benzonitrile
CID 133458000
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133322012
6-ethyl-N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
CID 133460671
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119129389
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111766867
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111766952
1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111759640
1-ethyl-3-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-[(2-fluorophenyl)methyl]guanidine
CID 111764639
4-acetyl-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]benzonitrile
CID 133457998
1-butyl-3-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111761336
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile?
The IUPAC name of 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile (CID 133322008) is 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile is CCc1nc(CN2CCC(CNc3cc(C#N)nc4ccccc34)CC2)cs1.
What is the InChIKey of 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile?
The InChIKey is SRVRUOBBPKVEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S/c1-2-22-26-18(15-28-22)14-27-9-7-16(8-10-27)13-24-21-11-17(12-23)25-20-6-4-3-5-19(20)21/h3-6,11,15-16H,2,7-10,13-14H2,1H3,(H,24,25).
What are the key properties of 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile?
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile has a molecular weight of 391.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]quinoline-2-carbonitrile is sourced from PubChem (CID 133322008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).