2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole

C10H7IN2O2S — CID 63384144

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole
SMILESIc1nnc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C10H7IN2O2S/c11-10-13-12-9(16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2
InChIKeyWIRCSCBHCIALEC-UHFFFAOYSA-N
MW346.15 g/mol
LogP2.58
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole (PubChem CID 63384144) has the molecular formula C10H7IN2O2S and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole
PubChem CID63384144
Molecular FormulaC10H7IN2O2S
Molecular Weight346.15 g/mol
Exact Mass345.93
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole
SMILESIc1nnc(-c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C10H7IN2O2S/c11-10-13-12-9(16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2
InChIKeyWIRCSCBHCIALEC-UHFFFAOYSA-N
XLogP2.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 52.58
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-ol
CID 116889740
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
2-(3,5-dichlorophenyl)-5-iodo-1,3,4-thiadiazole
CID 63383678
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine
CID 18874646
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
6-chloro-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 56657925
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 56661448
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-5-yl]ethanone
CID 55102198
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
CID 82088714

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole (CID 63384144) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole is Ic1nnc(-c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is WIRCSCBHCIALEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2O2S/c11-10-13-12-9(16-10)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5H,3-4H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 346.15 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 63384144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).