4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile

C19H17N5S — CID 168619054

IUPAC4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile
SMILESCc1csc(NN=Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)n1
InChIInChI=1S/C19H17N5S/c1-14-13-25-19(22-14)23-21-12-16-5-9-18(10-6-16)24(2)17-7-3-15(11-20)4-8-17/h3-10,12-13H,1-2H3,(H,22,23)
InChIKeyKJMLDPHALCPLDD-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.54
Rot. Bonds5

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

4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile (PubChem CID 168619054) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile.

Molecular Properties

Compound Name4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile
PubChem CID168619054
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile
SMILESCc1csc(NN=Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)n1
InChIInChI=1S/C19H17N5S/c1-14-13-25-19(22-14)23-21-12-16-5-9-18(10-6-16)24(2)17-7-3-15(11-20)4-8-17/h3-10,12-13H,1-2H3,(H,22,23)
InChIKeyKJMLDPHALCPLDD-UHFFFAOYSA-N
XLogP4.54
TPSA64.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.54
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-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
2-(dimethylamino)-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619300
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
6-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]hexanenitrile
CID 168618709
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
CID 168619107
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617991
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168616860
4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168619483
4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71456516

Frequently Asked Questions

What is the IUPAC name of 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile?
The IUPAC name of 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile (CID 168619054) is 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile.
What is the SMILES notation for 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile?
The canonical SMILES for 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile is Cc1csc(NN=Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)n1.
What is the InChIKey of 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile?
The InChIKey is KJMLDPHALCPLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c1-14-13-25-19(22-14)23-21-12-16-5-9-18(10-6-16)24(2)17-7-3-15(11-20)4-8-17/h3-10,12-13H,1-2H3,(H,22,23).
What are the key properties of 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile?
4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile has a molecular weight of 347.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile is sourced from PubChem (CID 168619054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).