4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

C15H12N6S — CID 169490567

IUPAC4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCn1ccnc1C=NNc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C15H12N6S/c1-21-7-6-17-14(21)9-18-20-15-19-13(10-22-15)12-4-2-11(8-16)3-5-12/h2-7,9-10H,1H3,(H,19,20)
InChIKeyCUGIJLMROZDJFT-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.86
Rot. Bonds4

About 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 169490567) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID169490567
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCn1ccnc1C=NNc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C15H12N6S/c1-21-7-6-17-14(21)9-18-20-15-19-13(10-22-15)12-4-2-11(8-16)3-5-12/h2-7,9-10H,1H3,(H,19,20)
InChIKeyCUGIJLMROZDJFT-UHFFFAOYSA-N
XLogP2.86
TPSA78.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine
CID 169490570
4-[2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71456516
4-[2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 155925476
4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540243
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine
CID 166749241
4-(4-methylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 6308176
N-[(E)-(1-cyclopropylbenzimidazol-2-yl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 171391994
N-[(3-methylbenzimidazol-5-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579299
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (CID 169490567) is 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is Cn1ccnc1C=NNc1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is CUGIJLMROZDJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-21-7-6-17-14(21)9-18-20-15-19-13(10-22-15)12-4-2-11(8-16)3-5-12/h2-7,9-10H,1H3,(H,19,20).
What are the key properties of 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 308.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 169490567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).