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

C10H6ClF3N4S — CID 168628077

IUPAC2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2c(F)cc(Cl)c(F)c2F)n1
InChIInChI=1S/C10H6ClF3N4S/c11-5-1-6(12)4(8(13)9(5)14)2-16-18-10-17-7(15)3-19-10/h1-3H,15H2,(H,17,18)
InChIKeyQJCKFLZXXICDJE-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.24
Rot. Bonds3

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

2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168628077) has the molecular formula C10H6ClF3N4S and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168628077
Molecular FormulaC10H6ClF3N4S
Molecular Weight306.70 g/mol
Exact Mass306.00
IUPAC Name2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2c(F)cc(Cl)c(F)c2F)n1
InChIInChI=1S/C10H6ClF3N4S/c11-5-1-6(12)4(8(13)9(5)14)2-16-18-10-17-7(15)3-19-10/h1-3H,15H2,(H,17,18)
InChIKeyQJCKFLZXXICDJE-UHFFFAOYSA-N
XLogP3.24
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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

2-N-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628160
2-N-[(2,4-difluoro-6-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627415
2-N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627080
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881
2-N-[(2-chloro-6-fluoro-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625862
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
2-N-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627477
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
N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577585
N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 168626751

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168628077) is 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2c(F)cc(Cl)c(F)c2F)n1.
What is the InChIKey of 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is QJCKFLZXXICDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4S/c11-5-1-6(12)4(8(13)9(5)14)2-16-18-10-17-7(15)3-19-10/h1-3H,15H2,(H,17,18).
What are the key properties of 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 306.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168628077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).