5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile

C12H9N3S — CID 10775678

IUPAC5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile
SMILES[H]/N=c1\c2ccccc2c(C#N)c2n1CCS2
InChIInChI=1S/C12H9N3S/c13-7-10-8-3-1-2-4-9(8)11(14)15-5-6-16-12(10)15/h1-4,14H,5-6H2/b14-11+
InChIKeyJKYQJIYRXFNNKH-SDNWHVSQSA-N
MW227.29 g/mol
LogP2.10
Rot. Bonds

About 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile

5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile (PubChem CID 10775678) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile.

Molecular Properties

Compound Name5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile
PubChem CID10775678
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile
SMILES[H]/N=c1\c2ccccc2c(C#N)c2n1CCS2
InChIInChI=1S/C12H9N3S/c13-7-10-8-3-1-2-4-9(8)11(14)15-5-6-16-12(10)15/h1-4,14H,5-6H2/b14-11+
InChIKeyJKYQJIYRXFNNKH-SDNWHVSQSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile
CID 136897640
6-imino-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaene-7,8-dicarbonitrile
CID 15500623
6-imino-8-phenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile
CID 10587973
7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
CID 2318180
5-imino-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 10805770
3-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
CID 18992521
7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile
CID 11041602
10-methylanthracene-9-carbonitrile
CID 12617916
10-bromoanthracene-9-carbonitrile
CID 11543731
7-(2-hydroxyphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 17122068
3-benzyl-1,3-thiazolidin-2-imine
CID 15163853
6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 10442668

Frequently Asked Questions

What is the IUPAC name of 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile?
The IUPAC name of 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile (CID 10775678) is 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile.
What is the SMILES notation for 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile?
The canonical SMILES for 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile is [H]/N=c1\c2ccccc2c(C#N)c2n1CCS2.
What is the InChIKey of 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile?
The InChIKey is JKYQJIYRXFNNKH-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H9N3S/c13-7-10-8-3-1-2-4-9(8)11(14)15-5-6-16-12(10)15/h1-4,14H,5-6H2/b14-11+.
What are the key properties of 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile?
5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile has a molecular weight of 227.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinoline-10-carbonitrile is sourced from PubChem (CID 10775678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).