5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine

C10H7IN4S — CID 148874730

IUPAC5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(I)c3c2)s1
InChIInChI=1S/C10H7IN4S/c11-7-4-13-8-2-1-5(3-6(7)8)9-14-15-10(12)16-9/h1-4,13H,(H2,12,15)
InChIKeyPBWOFVGSHDUPKX-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.87
Rot. Bonds1

About 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine

5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 148874730) has the molecular formula C10H7IN4S and a molecular weight of 342.17 g/mol. Its IUPAC name is 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID148874730
Molecular FormulaC10H7IN4S
Molecular Weight342.17 g/mol
Exact Mass341.94
IUPAC Name5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc3[nH]cc(I)c3c2)s1
InChIInChI=1S/C10H7IN4S/c11-7-4-13-8-2-1-5(3-6(7)8)9-14-15-10(12)16-9/h1-4,13H,(H2,12,15)
InChIKeyPBWOFVGSHDUPKX-UHFFFAOYSA-N
XLogP2.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 130052804
5-[3-[6-(2-methylpiperidin-1-yl)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 77467358
5-chloro-3-iodo-1H-indole
CID 2762969
5-(6-cyclopropylpyrazin-2-yl)-3-iodo-1H-indole
CID 67959733
3-iodo-1H-pyrrolo[2,3-c]pyridin-5-amine
CID 135396970
5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67236110
4-(5-amino-1,3,4-thiadiazol-2-yl)-2-fluorobenzaldehyde
CID 166085092
5-(2-iodo-5-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 130052770
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
3-iodo-1H-indole-5-carboxylic acid
CID 50990518
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445741
5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 114520379

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine (CID 148874730) is 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc3[nH]cc(I)c3c2)s1.
What is the InChIKey of 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PBWOFVGSHDUPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN4S/c11-7-4-13-8-2-1-5(3-6(7)8)9-14-15-10(12)16-9/h1-4,13H,(H2,12,15).
What are the key properties of 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 342.17 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodo-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 148874730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).