2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

C11H10F2N4S — CID 168625881

IUPAC2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCc1c(F)ccc(C=NNc2nc(N)cs2)c1F
InChIInChI=1S/C11H10F2N4S/c1-6-8(12)3-2-7(10(6)13)4-15-17-11-16-9(14)5-18-11/h2-5H,14H2,1H3,(H,16,17)
InChIKeyOAXXJEIJOAFNHW-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.76
Rot. Bonds3

About 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625881) has the molecular formula C11H10F2N4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625881
Molecular FormulaC11H10F2N4S
Molecular Weight268.29 g/mol
Exact Mass268.06
IUPAC Name2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCc1c(F)ccc(C=NNc2nc(N)cs2)c1F
InChIInChI=1S/C11H10F2N4S/c1-6-8(12)3-2-7(10(6)13)4-15-17-11-16-9(14)5-18-11/h2-5H,14H2,1H3,(H,16,17)
InChIKeyOAXXJEIJOAFNHW-UHFFFAOYSA-N
XLogP2.76
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628178
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625568
2-N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627080
2-N-[(4-chloro-3-ethoxy-2-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627121
2-N-[(5-fluoronaphthalen-1-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628122
2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628077
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
2-N-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627946
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,5-difluorobenzonitrile
CID 168627739
2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625862
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625881) is 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is Cc1c(F)ccc(C=NNc2nc(N)cs2)c1F.
What is the InChIKey of 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is OAXXJEIJOAFNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4S/c1-6-8(12)3-2-7(10(6)13)4-15-17-11-16-9(14)5-18-11/h2-5H,14H2,1H3,(H,16,17).
What are the key properties of 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 268.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).