2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine

C8H6IN3S — CID 135232785

IUPAC2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2ccc(I)nc2)n1
InChIInChI=1S/C8H6IN3S/c9-6-2-1-5(3-11-6)8-12-7(10)4-13-8/h1-4H,10H2
InChIKeyFWNYYXSDYPMBRR-UHFFFAOYSA-N
MW303.13 g/mol
LogP2.39
Rot. Bonds1

About 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine

2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine (PubChem CID 135232785) has the molecular formula C8H6IN3S and a molecular weight of 303.13 g/mol. Its IUPAC name is 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine
PubChem CID135232785
Molecular FormulaC8H6IN3S
Molecular Weight303.13 g/mol
Exact Mass302.93
IUPAC Name2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2ccc(I)nc2)n1
InChIInChI=1S/C8H6IN3S/c9-6-2-1-5(3-11-6)8-12-7(10)4-13-8/h1-4H,10H2
InChIKeyFWNYYXSDYPMBRR-UHFFFAOYSA-N
XLogP2.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(6-ethyl-3-pyridinyl)-1,3-thiazol-4-amine
CID 143780879
2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine
CID 135232511
2-pyridazin-4-yl-1,3-thiazol-4-amine
CID 162678923
O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;hydrochloride
CID 46224015
2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane
CID 145049338
2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole
CID 135394444
5-(6-iodo-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 135394491
2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine
CID 145049362
2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine
CID 107916044
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-amine
CID 116864191
2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine
CID 116864233
2-(3-methyl-4-pyridinyl)-1,3-thiazol-4-amine
CID 83108842

Frequently Asked Questions

What is the IUPAC name of 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine (CID 135232785) is 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine is Nc1csc(-c2ccc(I)nc2)n1.
What is the InChIKey of 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine?
The InChIKey is FWNYYXSDYPMBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3S/c9-6-2-1-5(3-11-6)8-12-7(10)4-13-8/h1-4H,10H2.
What are the key properties of 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine?
2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine has a molecular weight of 303.13 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 135232785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).