6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide

C14H11IN2OS — CID 87606129

IUPAC6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
SMILESI.Nc1nc2c(s1)Cc1cc(-c3ccoc3)ccc1-2
InChIInChI=1S/C14H10N2OS.HI/c15-14-16-13-11-2-1-8(9-3-4-17-7-9)5-10(11)6-12(13)18-14;/h1-5,7H,6H2,(H2,15,16);1H
InChIKeyNRXAZVJCUWVVJI-UHFFFAOYSA-N
MW382.23 g/mol
LogP4.17
Rot. Bonds1

About 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide

6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide (PubChem CID 87606129) has the molecular formula C14H11IN2OS and a molecular weight of 382.23 g/mol. Its IUPAC name is 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide.

Molecular Properties

Compound Name6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
PubChem CID87606129
Molecular FormulaC14H11IN2OS
Molecular Weight382.23 g/mol
Exact Mass381.96
IUPAC Name6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
SMILESI.Nc1nc2c(s1)Cc1cc(-c3ccoc3)ccc1-2
InChIInChI=1S/C14H10N2OS.HI/c15-14-16-13-11-2-1-8(9-3-4-17-7-9)5-10(11)6-12(13)18-14;/h1-5,7H,6H2,(H2,15,16);1H
InChIKeyNRXAZVJCUWVVJI-UHFFFAOYSA-N
XLogP4.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The IUPAC name of 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide (CID 87606129) is 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide.
What is the SMILES notation for 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The canonical SMILES for 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide is I.Nc1nc2c(s1)Cc1cc(-c3ccoc3)ccc1-2.
What is the InChIKey of 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The InChIKey is NRXAZVJCUWVVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS.HI/c15-14-16-13-11-2-1-8(9-3-4-17-7-9)5-10(11)6-12(13)18-14;/h1-5,7H,6H2,(H2,15,16);1H.
What are the key properties of 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide has a molecular weight of 382.23 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide is sourced from PubChem (CID 87606129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).