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

C10H7IN4S — CID 103130052

IUPAC3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole
SMILESCn1nc(-c2nc(I)ns2)c2ccccc21
InChIInChI=1S/C10H7IN4S/c1-15-7-5-3-2-4-6(7)8(13-15)9-12-10(11)14-16-9/h2-5H,1H3
InChIKeyZFYJNVDIMMBIKP-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.70
Rot. Bonds1

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

3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole (PubChem CID 103130052) has the molecular formula C10H7IN4S and a molecular weight of 342.17 g/mol. Its IUPAC name is 3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole
PubChem CID103130052
Molecular FormulaC10H7IN4S
Molecular Weight342.17 g/mol
Exact Mass341.94
IUPAC Name3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole
SMILESCn1nc(-c2nc(I)ns2)c2ccccc21
InChIInChI=1S/C10H7IN4S/c1-15-7-5-3-2-4-6(7)8(13-15)9-12-10(11)14-16-9/h2-5H,1H3
InChIKeyZFYJNVDIMMBIKP-UHFFFAOYSA-N
XLogP2.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 52.70
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

1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indazole
CID 103119734
1-methyl-3-thiophen-2-ylindazole
CID 57338749
1,4-dimethyl-3-(1-methylindazol-3-yl)pyrazol-5-amine
CID 103118715
5-(1-methylindazol-3-yl)thiophene-2-carbaldehyde
CID 177498837
2-methyl-5-(1-methylindazol-3-yl)-1H-1,2,4-triazole-3-thione
CID 103119827
4-(1-methylindazol-3-yl)-2-phenyl-1,3-oxazole
CID 139216519
4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one
CID 136980728
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylindazole
CID 130206220
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
3-(difluoromethyl)-1-methylindazole
CID 153487584
2-(1-methylindazol-3-yl)-3H-benzimidazol-5-ol
CID 136785862

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole (CID 103130052) is 3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole is Cn1nc(-c2nc(I)ns2)c2ccccc21.
What is the InChIKey of 3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole?
The InChIKey is ZFYJNVDIMMBIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN4S/c1-15-7-5-3-2-4-6(7)8(13-15)9-12-10(11)14-16-9/h2-5H,1H3.
What are the key properties of 3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole?
3-iodo-5-(1-methylindazol-3-yl)-1,2,4-thiadiazole has a molecular weight of 342.17 g/mol, XLogP of 2.70, 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-methylindazol-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 103130052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).