2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

C11H10ClFN4OS — CID 168625862

IUPAC2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCOc1ccc(F)c(C=NNc2nc(N)cs2)c1Cl
InChIInChI=1S/C11H10ClFN4OS/c1-18-8-3-2-7(13)6(10(8)12)4-15-17-11-16-9(14)5-19-11/h2-5H,14H2,1H3,(H,16,17)
InChIKeyJZHVNYCUVJYBES-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.97
Rot. Bonds4

About 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168625862) has the molecular formula C11H10ClFN4OS and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168625862
Molecular FormulaC11H10ClFN4OS
Molecular Weight300.75 g/mol
Exact Mass300.02
IUPAC Name2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCOc1ccc(F)c(C=NNc2nc(N)cs2)c1Cl
InChIInChI=1S/C11H10ClFN4OS/c1-18-8-3-2-7(13)6(10(8)12)4-15-17-11-16-9(14)5-19-11/h2-5H,14H2,1H3,(H,16,17)
InChIKeyJZHVNYCUVJYBES-UHFFFAOYSA-N
XLogP2.97
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.97
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-[(2,4-difluoro-6-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627415
2-N-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627946
2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628077
2-N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627080
2-N-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626322
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881
2-N-[(4-iodo-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628362
2-N-[[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626534
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 168626751
2-N-[(3-butoxy-4-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626008
2-N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625792

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168625862) is 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is COc1ccc(F)c(C=NNc2nc(N)cs2)c1Cl.
What is the InChIKey of 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is JZHVNYCUVJYBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4OS/c1-18-8-3-2-7(13)6(10(8)12)4-15-17-11-16-9(14)5-19-11/h2-5H,14H2,1H3,(H,16,17).
What are the key properties of 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 300.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168625862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).