4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile

C11H7F2N5S — CID 168627739

IUPAC4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(C=NNc2nc(N)cs2)cc1F
InChIInChI=1S/C11H7F2N5S/c12-8-2-7(9(13)1-6(8)3-14)4-16-18-11-17-10(15)5-19-11/h1-2,4-5H,15H2,(H,17,18)
InChIKeyZIJMOCRPPNTNCO-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.32
Rot. Bonds3

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

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile (PubChem CID 168627739) has the molecular formula C11H7F2N5S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile
PubChem CID168627739
Molecular FormulaC11H7F2N5S
Molecular Weight279.28 g/mol
Exact Mass279.04
IUPAC Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(C=NNc2nc(N)cs2)cc1F
InChIInChI=1S/C11H7F2N5S/c12-8-2-7(9(13)1-6(8)3-14)4-16-18-11-17-10(15)5-19-11/h1-2,4-5H,15H2,(H,17,18)
InChIKeyZIJMOCRPPNTNCO-UHFFFAOYSA-N
XLogP2.32
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
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

2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625568
2-N-[(4-ethynyl-3-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627908
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881
2-N-[(5-fluoronaphthalen-1-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628122
2-N-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627477
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
2-N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627080
2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628178
2-N-[(3-fluoro-4-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625811
2-N-[(2,4-difluoro-6-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627415
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile?
The IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile (CID 168627739) is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile.
What is the SMILES notation for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile?
The canonical SMILES for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile is N#Cc1cc(F)c(C=NNc2nc(N)cs2)cc1F.
What is the InChIKey of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile?
The InChIKey is ZIJMOCRPPNTNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5S/c12-8-2-7(9(13)1-6(8)3-14)4-16-18-11-17-10(15)5-19-11/h1-2,4-5H,15H2,(H,17,18).
What are the key properties of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile?
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile has a molecular weight of 279.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile is sourced from PubChem (CID 168627739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).