2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

C15H17N3OS2 — CID 19209914

IUPAC2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1
InChIInChI=1S/C15H17N3OS2/c1-4-20-15-17-18-9-13(16-14(18)21-15)11-5-7-12(8-6-11)19-10(2)3/h5-10H,4H2,1-3H3
InChIKeyVXVCNPXTTGFFGB-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.36
Rot. Bonds5

About 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209914) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209914
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1
InChIInChI=1S/C15H17N3OS2/c1-4-20-15-17-18-9-13(16-14(18)21-15)11-5-7-12(8-6-11)19-10(2)3/h5-10H,4H2,1-3H3
InChIKeyVXVCNPXTTGFFGB-UHFFFAOYSA-N
XLogP4.36
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfanyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209906
2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209493
2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 142974219
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020618
methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224558
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644204
2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
CID 154810945
1-[6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 82020609
6-(2-chlorophenyl)-2-propylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209945
2-[2-methyl-4-(4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95466244
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 19209914) is 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is CCSc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1.
What is the InChIKey of 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VXVCNPXTTGFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-4-20-15-17-18-9-13(16-14(18)21-15)11-5-7-12(8-6-11)19-10(2)3/h5-10H,4H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 319.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).