[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C17H21N3OS — CID 94961465

IUPAC[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1ccc(-c2nc3sc(CC(C)C)nn3c2CO)cc1C
InChIInChI=1S/C17H21N3OS/c1-10(2)7-15-19-20-14(9-21)16(18-17(20)22-15)13-6-5-11(3)12(4)8-13/h5-6,8,10,21H,7,9H2,1-4H3
InChIKeyOGPGEYMHIZYHKM-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.77
Rot. Bonds4

About [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961465) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961465
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1ccc(-c2nc3sc(CC(C)C)nn3c2CO)cc1C
InChIInChI=1S/C17H21N3OS/c1-10(2)7-15-19-20-14(9-21)16(18-17(20)22-15)13-6-5-11(3)12(4)8-13/h5-6,8,10,21H,7,9H2,1-4H3
InChIKeyOGPGEYMHIZYHKM-UHFFFAOYSA-N
XLogP3.77
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(3,4-dimethylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219553
[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961506
[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619
6-(3,4-dimethylphenyl)-2-ethyl-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209833
[6-(3,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219939
[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017
[6-(1,3-benzodioxol-5-yl)-2-propylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961567
[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961469
[6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219881
7-hydroxy-2-(2-methylpropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135403913
[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961681

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961465) is [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is Cc1ccc(-c2nc3sc(CC(C)C)nn3c2CO)cc1C.
What is the InChIKey of [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is OGPGEYMHIZYHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-10(2)7-15-19-20-14(9-21)16(18-17(20)22-15)13-6-5-11(3)12(4)8-13/h5-6,8,10,21H,7,9H2,1-4H3.
What are the key properties of [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 315.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).