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

C5H2IN3OS — CID 114771755

IUPAC2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole
SMILESIc1nnc(-c2cscn2)o1
InChIInChI=1S/C5H2IN3OS/c6-5-9-8-4(10-5)3-1-11-2-7-3/h1-2H
InChIKeyLWAQOJQXIMHACQ-UHFFFAOYSA-N
MW279.06 g/mol
LogP1.80
Rot. Bonds1

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

2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole (PubChem CID 114771755) has the molecular formula C5H2IN3OS and a molecular weight of 279.06 g/mol. Its IUPAC name is 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole
PubChem CID114771755
Molecular FormulaC5H2IN3OS
Molecular Weight279.06 g/mol
Exact Mass278.90
IUPAC Name2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole
SMILESIc1nnc(-c2cscn2)o1
InChIInChI=1S/C5H2IN3OS/c6-5-9-8-4(10-5)3-1-11-2-7-3/h1-2H
InChIKeyLWAQOJQXIMHACQ-UHFFFAOYSA-N
XLogP1.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 51.80
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

N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63022883
2-methyl-N-[[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 63022370
(E)-3-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252538
phenyl-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55143116
N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63023235
2-(5-chloro-2-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771551
2-iodo-5-(2-methylpyrimidin-4-yl)-1,3,4-oxadiazole
CID 131029013
2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771758
2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
CID 164653970
2-(1,3-thiazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82392806
1,3-thiazol-4-ylphosphane
CID 23047202
4-(2,6-dideuteriophenyl)-1,3-thiazole
CID 101141064

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole (CID 114771755) is 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole is Ic1nnc(-c2cscn2)o1.
What is the InChIKey of 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is LWAQOJQXIMHACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2IN3OS/c6-5-9-8-4(10-5)3-1-11-2-7-3/h1-2H.
What are the key properties of 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole?
2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 279.06 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(1,3-thiazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).