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

C6H4IN3S2 — CID 63383791

IUPAC2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole
SMILESCc1ncsc1-c1nnc(I)s1
InChIInChI=1S/C6H4IN3S2/c1-3-4(11-2-8-3)5-9-10-6(7)12-5/h2H,1H3
InChIKeyFKHFRYWOXMHWQF-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.57
Rot. Bonds1

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

2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole (PubChem CID 63383791) has the molecular formula C6H4IN3S2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole
PubChem CID63383791
Molecular FormulaC6H4IN3S2
Molecular Weight309.16 g/mol
Exact Mass308.89
IUPAC Name2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole
SMILESCc1ncsc1-c1nnc(I)s1
InChIInChI=1S/C6H4IN3S2/c1-3-4(11-2-8-3)5-9-10-6(7)12-5/h2H,1H3
InChIKeyFKHFRYWOXMHWQF-UHFFFAOYSA-N
XLogP2.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole (CID 63383791) is 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole is Cc1ncsc1-c1nnc(I)s1.
What is the InChIKey of 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole?
The InChIKey is FKHFRYWOXMHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3S2/c1-3-4(11-2-8-3)5-9-10-6(7)12-5/h2H,1H3.
What are the key properties of 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole?
2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole has a molecular weight of 309.16 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 63383791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).