[5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine

C7H8IN5S — CID 131107739

IUPAC[5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCn1ncc(-c2nnc(CN)s2)c1I
InChIInChI=1S/C7H8IN5S/c1-13-6(8)4(3-10-13)7-12-11-5(2-9)14-7/h3H,2,9H2,1H3
InChIKeyHOVOEGWLYSWZMG-UHFFFAOYSA-N
MW321.15 g/mol
LogP1.00
Rot. Bonds2

About [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 131107739) has the molecular formula C7H8IN5S and a molecular weight of 321.15 g/mol. Its IUPAC name is [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID131107739
Molecular FormulaC7H8IN5S
Molecular Weight321.15 g/mol
Exact Mass320.95
IUPAC Name[5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCn1ncc(-c2nnc(CN)s2)c1I
InChIInChI=1S/C7H8IN5S/c1-13-6(8)4(3-10-13)7-12-11-5(2-9)14-7/h3H,2,9H2,1H3
InChIKeyHOVOEGWLYSWZMG-UHFFFAOYSA-N
XLogP1.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(5-bromo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 130743810
2-(5-bromo-1-methylpyrazol-4-yl)-5-(2-chloroethyl)-1,3,4-thiadiazole
CID 130743853
[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 79584303
methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate
CID 90383512
[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 66473705
[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 107966911
[5-(5-ethylfuran-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 79084311
[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360109
[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 131025975
1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
CID 131110893
[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888910
[5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360097

Frequently Asked Questions

What is the IUPAC name of [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine (CID 131107739) is [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine is Cn1ncc(-c2nnc(CN)s2)c1I.
What is the InChIKey of [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is HOVOEGWLYSWZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN5S/c1-13-6(8)4(3-10-13)7-12-11-5(2-9)14-7/h3H,2,9H2,1H3.
What are the key properties of [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 321.15 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-iodo-1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 131107739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).