2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile

C14H15N5S — CID 168619300

IUPAC2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
SMILESCc1csc(NN=Cc2ccc(N(C)C)c(C#N)c2)n1
InChIInChI=1S/C14H15N5S/c1-10-9-20-14(17-10)18-16-8-11-4-5-13(19(2)3)12(6-11)7-15/h4-6,8-9H,1-3H3,(H,17,18)
InChIKeyQFOIFCDWWSTFPR-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.84
Rot. Bonds4

About 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile

2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile (PubChem CID 168619300) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
PubChem CID168619300
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
SMILESCc1csc(NN=Cc2ccc(N(C)C)c(C#N)c2)n1
InChIInChI=1S/C14H15N5S/c1-10-9-20-14(17-10)18-16-8-11-4-5-13(19(2)3)12(6-11)7-15/h4-6,8-9H,1-3H3,(H,17,18)
InChIKeyQFOIFCDWWSTFPR-UHFFFAOYSA-N
XLogP2.84
TPSA64.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile
CID 168619054
2-(dimethylamino)-5-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169383843
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168616860
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619710
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133
4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine
CID 168619047
2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
CID 168619127

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The IUPAC name of 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile (CID 168619300) is 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile.
What is the SMILES notation for 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The canonical SMILES for 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile is Cc1csc(NN=Cc2ccc(N(C)C)c(C#N)c2)n1.
What is the InChIKey of 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
The InChIKey is QFOIFCDWWSTFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-10-9-20-14(17-10)18-16-8-11-4-5-13(19(2)3)12(6-11)7-15/h4-6,8-9H,1-3H3,(H,17,18).
What are the key properties of 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile?
2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile has a molecular weight of 285.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile is sourced from PubChem (CID 168619300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).