3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole

C6H5IN4S — CID 103130050

IUPAC3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole
SMILESCn1ccc(-c2nc(I)ns2)n1
InChIInChI=1S/C6H5IN4S/c1-11-3-2-4(9-11)5-8-6(7)10-12-5/h2-3H,1H3
InChIKeyRZTYLZPZGHNNJY-UHFFFAOYSA-N
MW292.11 g/mol
LogP1.54
Rot. Bonds1

About 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole

3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole (PubChem CID 103130050) has the molecular formula C6H5IN4S and a molecular weight of 292.11 g/mol. Its IUPAC name is 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole
PubChem CID103130050
Molecular FormulaC6H5IN4S
Molecular Weight292.11 g/mol
Exact Mass291.93
IUPAC Name3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole
SMILESCn1ccc(-c2nc(I)ns2)n1
InChIInChI=1S/C6H5IN4S/c1-11-3-2-4(9-11)5-8-6(7)10-12-5/h2-3H,1H3
InChIKeyRZTYLZPZGHNNJY-UHFFFAOYSA-N
XLogP1.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile
CID 125449136
[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 65197733
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 65198190
4-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 19620854
2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carbaldehyde
CID 65197767
[4-(1-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
CID 118377536
3-(2,6-dichlorophenyl)-1-methylpyrazole
CID 173078305
2-(1-methylpyrazol-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 65198205
1-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 65198189
2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 65195789
methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
CID 115327950
N-[[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 65197785

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole (CID 103130050) is 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole is Cn1ccc(-c2nc(I)ns2)n1.
What is the InChIKey of 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole?
The InChIKey is RZTYLZPZGHNNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IN4S/c1-11-3-2-4(9-11)5-8-6(7)10-12-5/h2-3H,1H3.
What are the key properties of 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole?
3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole has a molecular weight of 292.11 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(1-methylpyrazol-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 103130050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).