5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole

C9H8IN3OS — CID 102618449

IUPAC5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole
SMILESCOc1ccc(Cc2nsc(I)n2)cn1
InChIInChI=1S/C9H8IN3OS/c1-14-8-3-2-6(5-11-8)4-7-12-9(10)15-13-7/h2-3,5H,4H2,1H3
InChIKeyQEPILSUTWDQZQY-UHFFFAOYSA-N
MW333.15 g/mol
LogP2.14
Rot. Bonds3

About 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole

5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole (PubChem CID 102618449) has the molecular formula C9H8IN3OS and a molecular weight of 333.15 g/mol. Its IUPAC name is 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole
PubChem CID102618449
Molecular FormulaC9H8IN3OS
Molecular Weight333.15 g/mol
Exact Mass332.94
IUPAC Name5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole
SMILESCOc1ccc(Cc2nsc(I)n2)cn1
InChIInChI=1S/C9H8IN3OS/c1-14-8-3-2-6(5-11-8)4-7-12-9(10)15-13-7/h2-3,5H,4H2,1H3
InChIKeyQEPILSUTWDQZQY-UHFFFAOYSA-N
XLogP2.14
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 52.14
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-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
CID 139512366
5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-methoxypyridine
CID 175294527
2-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]ethanethiol
CID 112753795
(1R)-1-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565463
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449
5-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106476916
4-[(6-methoxy-3-pyridinyl)methyl]-2-methylbenzoic acid
CID 175238679
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361101
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
2-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525840

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole (CID 102618449) is 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole is COc1ccc(Cc2nsc(I)n2)cn1.
What is the InChIKey of 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole?
The InChIKey is QEPILSUTWDQZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3OS/c1-14-8-3-2-6(5-11-8)4-7-12-9(10)15-13-7/h2-3,5H,4H2,1H3.
What are the key properties of 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole?
5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole has a molecular weight of 333.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102618449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).