5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine

C7H4IN3O3S — CID 12007693

IUPAC5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc([N+](=O)[O-])o2)c(I)s1
InChIInChI=1S/C7H4IN3O3S/c8-6-5(10-7(9)15-6)3-1-2-4(14-3)11(12)13/h1-2H,(H2,9,10)
InChIKeyRTOJOLDWBXNCSF-UHFFFAOYSA-N
MW337.10 g/mol
LogP2.50
Rot. Bonds2

About 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine

5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine (PubChem CID 12007693) has the molecular formula C7H4IN3O3S and a molecular weight of 337.10 g/mol. Its IUPAC name is 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
PubChem CID12007693
Molecular FormulaC7H4IN3O3S
Molecular Weight337.10 g/mol
Exact Mass336.90
IUPAC Name5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc([N+](=O)[O-])o2)c(I)s1
InChIInChI=1S/C7H4IN3O3S/c8-6-5(10-7(9)15-6)3-1-2-4(14-3)11(12)13/h1-2H,(H2,9,10)
InChIKeyRTOJOLDWBXNCSF-UHFFFAOYSA-N
XLogP2.50
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-5-(5-nitrofuran-2-yl)-1,3-thiazol-4-amine
CID 13327587
2-(5-nitrofuran-2-yl)-4-phenyl-1,3-thiazole
CID 138754238
5-amino-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylic acid
CID 154119758
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
CID 56615074
2-amino-6-chloro-4-(5-nitrofuran-2-yl)pyridine-3,5-dicarbonitrile
CID 641460
4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
CID 23996777
6-bromo-7-methyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 79736809
6-ethyl-1-methyl-3-(5-nitrofuran-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 21416629
2-(methylamino)-6-(5-nitrofuran-2-yl)-1,3-thiazin-4-one
CID 23274614
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 10753
N-tert-butyl-2-methyl-6-(5-nitrofuran-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 170913490
5-methyl-2-(5-nitrofuran-2-yl)-1,3-oxazole-4-carboxylic acid
CID 62235043

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine (CID 12007693) is 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc([N+](=O)[O-])o2)c(I)s1.
What is the InChIKey of 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine?
The InChIKey is RTOJOLDWBXNCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4IN3O3S/c8-6-5(10-7(9)15-6)3-1-2-4(14-3)11(12)13/h1-2H,(H2,9,10).
What are the key properties of 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine?
5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine has a molecular weight of 337.10 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 12007693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).