1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile

C9H5N5S — CID 112595584

IUPAC1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2cscn2)c1C#N
InChIInChI=1S/C9H5N5S/c10-1-8-9(2-11)14(5-12-8)3-7-4-15-6-13-7/h4-6H,3H2
InChIKeyGWFSBKFSTVVQJY-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.13
Rot. Bonds2

About 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile

1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595584) has the molecular formula C9H5N5S and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile
PubChem CID112595584
Molecular FormulaC9H5N5S
Molecular Weight215.24 g/mol
Exact Mass215.03
IUPAC Name1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2cscn2)c1C#N
InChIInChI=1S/C9H5N5S/c10-1-8-9(2-11)14(5-12-8)3-7-4-15-6-13-7/h4-6H,3H2
InChIKeyGWFSBKFSTVVQJY-UHFFFAOYSA-N
XLogP1.13
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(thiophen-3-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595726
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595443
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
6-[(4,5-dicyanoimidazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 112594979
1-[(2,4,6-trimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595657
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742
1-(methoxymethyl)imidazole-4,5-dicarbonitrile
CID 15054275
1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595727
5-[(4,5-dicyanoimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 112595889
1-[(2,5-dimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595464
6-chloro-3-(1,3-thiazol-4-ylmethyl)pyrimidin-4-one
CID 114582153
1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile (CID 112595584) is 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(Cc2cscn2)c1C#N.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is GWFSBKFSTVVQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5S/c10-1-8-9(2-11)14(5-12-8)3-7-4-15-6-13-7/h4-6H,3H2.
What are the key properties of 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile?
1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 215.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).