2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C14H14N4S — CID 55207503

IUPAC2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCc1nccs1)CCCC2
InChIInChI=1S/C14H14N4S/c15-8-11-7-10-3-1-2-4-12(10)18-14(11)17-9-13-16-5-6-19-13/h5-7H,1-4,9H2,(H,17,18)
InChIKeyRYQHZZCGDYLUAP-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.90
Rot. Bonds3

About 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 55207503) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID55207503
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCc1nccs1)CCCC2
InChIInChI=1S/C14H14N4S/c15-8-11-7-10-3-1-2-4-12(10)18-14(11)17-9-13-16-5-6-19-13/h5-7H,1-4,9H2,(H,17,18)
InChIKeyRYQHZZCGDYLUAP-UHFFFAOYSA-N
XLogP2.90
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 55207503) is 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1NCc1nccs1)CCCC2.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is RYQHZZCGDYLUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-8-11-7-10-3-1-2-4-12(10)18-14(11)17-9-13-16-5-6-19-13/h5-7H,1-4,9H2,(H,17,18).
What are the key properties of 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 55207503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).