2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H18N4S — CID 104577235

IUPAC2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(CNc1nc2c(cc1C#N)CCCC2)c1nccs1
InChIInChI=1S/C16H18N4S/c1-11(16-18-6-7-21-16)10-19-15-13(9-17)8-12-4-2-3-5-14(12)20-15/h6-8,11H,2-5,10H2,1H3,(H,19,20)
InChIKeyLSBMTVNZHKFSFU-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.50
Rot. Bonds4

About 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 104577235) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID104577235
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC(CNc1nc2c(cc1C#N)CCCC2)c1nccs1
InChIInChI=1S/C16H18N4S/c1-11(16-18-6-7-21-16)10-19-15-13(9-17)8-12-4-2-3-5-14(12)20-15/h6-8,11H,2-5,10H2,1H3,(H,19,20)
InChIKeyLSBMTVNZHKFSFU-UHFFFAOYSA-N
XLogP3.50
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 55207503
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile
CID 104577151
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206
4,6-dimethyl-2-[[(2S)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616325
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 103877964
4,6-dimethyl-2-[[(2R)-2-(1,3-thiazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 124616324
2-(2-ethylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107815193
2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]butanoic acid
CID 65226528
2-[[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 99827932
2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115622839
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 104577235) is 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC(CNc1nc2c(cc1C#N)CCCC2)c1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is LSBMTVNZHKFSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11(16-18-6-7-21-16)10-19-15-13(9-17)8-12-4-2-3-5-14(12)20-15/h6-8,11H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 298.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 104577235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).