6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H14ClN7S — CID 133494363

IUPAC6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccc(-c2cn3nc(NC4CCCn5ncnc54)sc3n2)cc1
InChIInChI=1S/C16H14ClN7S/c17-11-5-3-10(4-6-11)13-8-24-16(21-13)25-15(22-24)20-12-2-1-7-23-14(12)18-9-19-23/h3-6,8-9,12H,1-2,7H2,(H,20,22)
InChIKeyLAOFSCKXROAKTF-UHFFFAOYSA-N
MW371.86 g/mol
LogP3.65
Rot. Bonds3

About 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133494363) has the molecular formula C16H14ClN7S and a molecular weight of 371.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133494363
Molecular FormulaC16H14ClN7S
Molecular Weight371.86 g/mol
Exact Mass371.07
IUPAC Name6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccc(-c2cn3nc(NC4CCCn5ncnc54)sc3n2)cc1
InChIInChI=1S/C16H14ClN7S/c17-11-5-3-10(4-6-11)13-8-24-16(21-13)25-15(22-24)20-12-2-1-7-23-14(12)18-9-19-23/h3-6,8-9,12H,1-2,7H2,(H,20,22)
InChIKeyLAOFSCKXROAKTF-UHFFFAOYSA-N
XLogP3.65
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine with MolForge

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Related Compounds

trans-(1S,2S)-2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
CID 133495361
6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133494862
4-[2-(cyclohexylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenol
CID 67221140
1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclopropylpiperidin-4-amine
CID 133494909
6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133493713
6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133494765
3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propane-1,2-diol
CID 133494882
6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209571
1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol
CID 167905553
6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221786
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133494363) is 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Clc1ccc(-c2cn3nc(NC4CCCn5ncnc54)sc3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LAOFSCKXROAKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN7S/c17-11-5-3-10(4-6-11)13-8-24-16(21-13)25-15(22-24)20-12-2-1-7-23-14(12)18-9-19-23/h3-6,8-9,12H,1-2,7H2,(H,20,22).
What are the key properties of 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 371.86 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133494363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).