2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole

C8H11IN2OS — CID 103558163

IUPAC2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole
SMILESCOC1(Cc2nnc(I)s2)CCC1
InChIInChI=1S/C8H11IN2OS/c1-12-8(3-2-4-8)5-6-10-11-7(9)13-6/h2-5H2,1H3
InChIKeyFLWBNDDXFJCTSY-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.25
Rot. Bonds3

About 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole

2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole (PubChem CID 103558163) has the molecular formula C8H11IN2OS and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole
PubChem CID103558163
Molecular FormulaC8H11IN2OS
Molecular Weight310.16 g/mol
Exact Mass309.96
IUPAC Name2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole
SMILESCOC1(Cc2nnc(I)s2)CCC1
InChIInChI=1S/C8H11IN2OS/c1-12-8(3-2-4-8)5-6-10-11-7(9)13-6/h2-5H2,1H3
InChIKeyFLWBNDDXFJCTSY-UHFFFAOYSA-N
XLogP2.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 103558524
2-(1-chloroethyl)-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole
CID 103558504
5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 103560662
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutan-1-amine
CID 164653831
5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
CID 103558593
2-(chloromethyl)-5-iodo-1,3,4-thiadiazole
CID 133056070
2-iodo-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 63383460
4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine
CID 103558694
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558913
5-[(1-methoxycyclobutyl)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 103557488
4-iodo-1-[(1-methoxycyclohexyl)methyl]-5-methylpyrazole
CID 89498280
(1-methoxycyclobutyl)methanamine
CID 66072375

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole (CID 103558163) is 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole is COC1(Cc2nnc(I)s2)CCC1.
What is the InChIKey of 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole?
The InChIKey is FLWBNDDXFJCTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2OS/c1-12-8(3-2-4-8)5-6-10-11-7(9)13-6/h2-5H2,1H3.
What are the key properties of 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole?
2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole has a molecular weight of 310.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-[(1-methoxycyclobutyl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 103558163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).