2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine

C10H8BrIN4S — CID 168628267

IUPAC2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2c(Br)cccc2I)n1
InChIInChI=1S/C10H8BrIN4S/c11-7-2-1-3-8(12)6(7)4-14-16-10-15-9(13)5-17-10/h1-5H,13H2,(H,15,16)
InChIKeyKFPFZAANPPZRSK-UHFFFAOYSA-N
MW423.08 g/mol
LogP3.54
Rot. Bonds3

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

2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168628267) has the molecular formula C10H8BrIN4S and a molecular weight of 423.08 g/mol. Its IUPAC name is 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168628267
Molecular FormulaC10H8BrIN4S
Molecular Weight423.08 g/mol
Exact Mass421.87
IUPAC Name2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESNc1csc(NN=Cc2c(Br)cccc2I)n1
InChIInChI=1S/C10H8BrIN4S/c11-7-2-1-3-8(12)6(7)4-14-16-10-15-9(13)5-17-10/h1-5H,13H2,(H,15,16)
InChIKeyKFPFZAANPPZRSK-UHFFFAOYSA-N
XLogP3.54
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.08
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
N-[(2-bromo-6-iodophenyl)methylideneamino]aniline
CID 169384067
2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
2-N-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627303
2-N-[(4-iodo-3-methoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628362
N-[(2-bromo-3-iodophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619609
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
2-N-[(5-fluoronaphthalen-1-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628122
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol
CID 168628389
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
CID 168626422
3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168628267) is 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine is Nc1csc(NN=Cc2c(Br)cccc2I)n1.
What is the InChIKey of 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is KFPFZAANPPZRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrIN4S/c11-7-2-1-3-8(12)6(7)4-14-16-10-15-9(13)5-17-10/h1-5H,13H2,(H,15,16).
What are the key properties of 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 423.08 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168628267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).