6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine

C18H15IN2S — CID 11395976

IUPAC6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine
SMILESCc1ccc(-c2ccc3c(c2)Cc2sc(NI)nc2-3)cc1C
InChIInChI=1S/C18H15IN2S/c1-10-3-4-12(7-11(10)2)13-5-6-15-14(8-13)9-16-17(15)20-18(21-19)22-16/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyDXEYDRJMXGDKBW-UHFFFAOYSA-N
MW418.30 g/mol
LogP5.76
Rot. Bonds2

About 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine

6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine (PubChem CID 11395976) has the molecular formula C18H15IN2S and a molecular weight of 418.30 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine
PubChem CID11395976
Molecular FormulaC18H15IN2S
Molecular Weight418.30 g/mol
Exact Mass418.00
IUPAC Name6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine
SMILESCc1ccc(-c2ccc3c(c2)Cc2sc(NI)nc2-3)cc1C
InChIInChI=1S/C18H15IN2S/c1-10-3-4-12(7-11(10)2)13-5-6-15-14(8-13)9-16-17(15)20-18(21-19)22-16/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyDXEYDRJMXGDKBW-UHFFFAOYSA-N
XLogP5.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.30
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-propan-2-yl-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 116531152
6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
CID 87606129
N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 130556969
ethyl (E)-3-[2-(propylamino)-4H-indeno[1,2-d][1,3]thiazol-6-yl]prop-2-enoate
CID 71625210
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848146
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
2-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-nitrobenzamide
CID 126059532
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2727919
7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 10065176
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
4-(3,4-dimethylphenyl)-5-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 126052604

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine (CID 11395976) is 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine is Cc1ccc(-c2ccc3c(c2)Cc2sc(NI)nc2-3)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The InChIKey is DXEYDRJMXGDKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2S/c1-10-3-4-12(7-11(10)2)13-5-6-15-14(8-13)9-16-17(15)20-18(21-19)22-16/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine?
6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine has a molecular weight of 418.30 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine is sourced from PubChem (CID 11395976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).