2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine

C14H11FN4S — CID 168628178

IUPAC2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccc3ccccc3c2F)n1
InChIInChI=1S/C14H11FN4S/c15-13-10(6-5-9-3-1-2-4-11(9)13)7-17-19-14-18-12(16)8-20-14/h1-8H,16H2,(H,18,19)
InChIKeyLWNDGCINXAIMRZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.46
Rot. Bonds3

About 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168628178) has the molecular formula C14H11FN4S and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168628178
Molecular FormulaC14H11FN4S
Molecular Weight286.34 g/mol
Exact Mass286.07
IUPAC Name2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2ccc3ccccc3c2F)n1
InChIInChI=1S/C14H11FN4S/c15-13-10(6-5-9-3-1-2-4-11(9)13)7-17-19-14-18-12(16)8-20-14/h1-8H,16H2,(H,18,19)
InChIKeyLWNDGCINXAIMRZ-UHFFFAOYSA-N
XLogP3.46
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.46
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-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528
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-[(4-chloro-3-ethoxy-2-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627121
2-N-[[2-(4-fluorophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626295
2-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625568
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627080
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
2-N-[[2-(piperidin-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625974
N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide
CID 168627401
2-N-[(4-methyl-2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625826

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168628178) is 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2ccc3ccccc3c2F)n1.
What is the InChIKey of 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is LWNDGCINXAIMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4S/c15-13-10(6-5-9-3-1-2-4-11(9)13)7-17-19-14-18-12(16)8-20-14/h1-8H,16H2,(H,18,19).
What are the key properties of 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 286.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168628178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).