2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol

C6H9IN2OS — CID 134201403

IUPAC2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESCc1nnc(C(C)(I)CO)s1
InChIInChI=1S/C6H9IN2OS/c1-4-8-9-5(11-4)6(2,7)3-10/h10H,3H2,1-2H3
InChIKeyVERNJFRSUGSWPU-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.49
Rot. Bonds2

About 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol

2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol (PubChem CID 134201403) has the molecular formula C6H9IN2OS and a molecular weight of 284.12 g/mol. Its IUPAC name is 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
PubChem CID134201403
Molecular FormulaC6H9IN2OS
Molecular Weight284.12 g/mol
Exact Mass283.95
IUPAC Name2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol
SMILESCc1nnc(C(C)(I)CO)s1
InChIInChI=1S/C6H9IN2OS/c1-4-8-9-5(11-4)6(2,7)3-10/h10H,3H2,1-2H3
InChIKeyVERNJFRSUGSWPU-UHFFFAOYSA-N
XLogP1.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The IUPAC name of 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol (CID 134201403) is 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol is Cc1nnc(C(C)(I)CO)s1.
What is the InChIKey of 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
The InChIKey is VERNJFRSUGSWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2OS/c1-4-8-9-5(11-4)6(2,7)3-10/h10H,3H2,1-2H3.
What are the key properties of 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol?
2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol has a molecular weight of 284.12 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-(5-methyl-1,3,4-thiadiazol-2-yl)propan-1-ol is sourced from PubChem (CID 134201403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).