2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile

C8H6N4S — CID 54430175

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile
SMILESCc1csc(N=CC(C#N)C#N)n1
InChIInChI=1S/C8H6N4S/c1-6-5-13-8(12-6)11-4-7(2-9)3-10/h4-5,7H,1H3
InChIKeyWGXWQGHFBHNYRG-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.82
Rot. Bonds2

About 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile

2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile (PubChem CID 54430175) has the molecular formula C8H6N4S and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile
PubChem CID54430175
Molecular FormulaC8H6N4S
Molecular Weight190.23 g/mol
Exact Mass190.03
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile
SMILESCc1csc(N=CC(C#N)C#N)n1
InChIInChI=1S/C8H6N4S/c1-6-5-13-8(12-6)11-4-7(2-9)3-10/h4-5,7H,1H3
InChIKeyWGXWQGHFBHNYRG-UHFFFAOYSA-N
XLogP1.82
TPSA72.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile (CID 54430175) is 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile is Cc1csc(N=CC(C#N)C#N)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile?
The InChIKey is WGXWQGHFBHNYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S/c1-6-5-13-8(12-6)11-4-7(2-9)3-10/h4-5,7H,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile?
2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile has a molecular weight of 190.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)iminomethyl]propanedinitrile is sourced from PubChem (CID 54430175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).