[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C15H16ClN3OS — CID 94961506

IUPAC[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1cc(-c2nc3sc(C(C)C)nn3c2CO)ccc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-8(2)14-18-19-12(7-20)13(17-15(19)21-14)10-4-5-11(16)9(3)6-10/h4-6,8,20H,7H2,1-3H3
InChIKeyZEKYFONZDJHUKU-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.04
Rot. Bonds3

About [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961506) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961506
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1cc(-c2nc3sc(C(C)C)nn3c2CO)ccc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-8(2)14-18-19-12(7-20)13(17-15(19)21-14)10-4-5-11(16)9(3)6-10/h4-6,8,20H,7H2,1-3H3
InChIKeyZEKYFONZDJHUKU-UHFFFAOYSA-N
XLogP4.04
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.04
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-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961465
[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219843
[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619
[6-(3,4-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219939
[2-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961573
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209399
[6-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219881
2-bromo-4-(4-chloro-3-methylphenyl)-5-propan-2-yl-1,3-thiazole
CID 167558473
2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195410
6-naphthalen-2-yl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197859
[6-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219630

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961506) is [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is Cc1cc(-c2nc3sc(C(C)C)nn3c2CO)ccc1Cl.
What is the InChIKey of [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is ZEKYFONZDJHUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-8(2)14-18-19-12(7-20)13(17-15(19)21-14)10-4-5-11(16)9(3)6-10/h4-6,8,20H,7H2,1-3H3.
What are the key properties of [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 321.83 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).