5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole

C17H21N3OS — CID 156543315

IUPAC5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCC(C)c1cc(-c2c(C)nc3sc(C)nn23)ccc1OC
InChIInChI=1S/C17H21N3OS/c1-6-10(2)14-9-13(7-8-15(14)21-5)16-11(3)18-17-20(16)19-12(4)22-17/h7-10H,6H2,1-5H3
InChIKeyUCQMNOBNTGCABI-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.60
Rot. Bonds4

About 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole

5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 156543315) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID156543315
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCC(C)c1cc(-c2c(C)nc3sc(C)nn23)ccc1OC
InChIInChI=1S/C17H21N3OS/c1-6-10(2)14-9-13(7-8-15(14)21-5)16-11(3)18-17-20(16)19-12(4)22-17/h7-10H,6H2,1-5H3
InChIKeyUCQMNOBNTGCABI-UHFFFAOYSA-N
XLogP4.60
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-5-(4-methoxy-3-methylsulfanylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 156543560
2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 146411679
5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxybenzenesulfinic acid
CID 146411748
5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 146411315
5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine
CID 66717058
1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-N,N-dimethylformamide
CID 166003420
6-(3-butan-2-yl-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 4552709
[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619
methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate
CID 146411335
2-[5-[4-methoxy-3-(1-methylsulfanylazetidin-3-yl)sulfanylphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 156543428
2-[5-[3-[1-(2-hydroxypropan-2-yl)cyclopropyl]sulfonyl-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 146411327
3-[5-(2-cyclopropyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-2-methoxyphenyl]sulfonyl-2,2-dimethylpropan-1-ol
CID 167599474

Frequently Asked Questions

What is the IUPAC name of 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole (CID 156543315) is 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole is CCC(C)c1cc(-c2c(C)nc3sc(C)nn23)ccc1OC.
What is the InChIKey of 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is UCQMNOBNTGCABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-6-10(2)14-9-13(7-8-15(14)21-5)16-11(3)18-17-20(16)19-12(4)22-17/h7-10H,6H2,1-5H3.
What are the key properties of 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole?
5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 315.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butan-2-yl-4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 156543315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).