4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

C15H10N4OS — CID 71540243

IUPAC4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1
InChIInChI=1S/C15H10N4OS/c16-8-11-3-5-12(6-4-11)14-10-21-15(18-14)19-17-9-13-2-1-7-20-13/h1-7,9-10H,(H,18,19)/b17-9+
InChIKeyLWUULZNJVZBDGT-RQZCQDPDSA-N
MW294.34 g/mol
LogP3.72
Rot. Bonds4

About 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 71540243) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID71540243
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1
InChIInChI=1S/C15H10N4OS/c16-8-11-3-5-12(6-4-11)14-10-21-15(18-14)19-17-9-13-2-1-7-20-13/h1-7,9-10H,(H,18,19)/b17-9+
InChIKeyLWUULZNJVZBDGT-RQZCQDPDSA-N
XLogP3.72
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 18552758
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-[2-[(1-methylimidazol-2-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 169490567
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276688
N-[(Z)-furan-2-ylmethylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276687
N-[(E)-furan-2-ylmethylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 110337035
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
(6S)-3-ethyl-5-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-6-(4-methylphenyl)-1,6-dihydropyrimidin-2-one
CID 42535786
methyl 2-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110539912
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (CID 71540243) is 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is N#Cc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1.
What is the InChIKey of 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is LWUULZNJVZBDGT-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-8-11-3-5-12(6-4-11)14-10-21-15(18-14)19-17-9-13-2-1-7-20-13/h1-7,9-10H,(H,18,19)/b17-9+.
What are the key properties of 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 294.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 71540243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).