6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole

C12H10ClN3OS — CID 70976615

IUPAC6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1cn2nc(COCc3ccccc3)sc2n1
InChIInChI=1S/C12H10ClN3OS/c13-10-6-16-12(14-10)18-11(15-16)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyBBQQBILDCBBVBF-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.16
Rot. Bonds4

About 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole

6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 70976615) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID70976615
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC Name6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESClc1cn2nc(COCc3ccccc3)sc2n1
InChIInChI=1S/C12H10ClN3OS/c13-10-6-16-12(14-10)18-11(15-16)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyBBQQBILDCBBVBF-UHFFFAOYSA-N
XLogP3.16
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260373
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
CID 66734377
CID 66734377
2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 11623933
4-chloro-2-(phenylmethoxymethyl)pyrimidine
CID 105495442
ethane;phenylmethoxymethylbenzene
CID 90943549
2-(methoxymethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209536
N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608751
5-bromo-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 86643276
4-chloro-1-phenylmethoxypyrazole
CID 91619331
3-benzyl-6-(ethoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7314733
5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 140863809

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 70976615) is 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole is Clc1cn2nc(COCc3ccccc3)sc2n1.
What is the InChIKey of 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is BBQQBILDCBBVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c13-10-6-16-12(14-10)18-11(15-16)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2.
What are the key properties of 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 279.75 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(phenylmethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 70976615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).