6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C19H21ClN4OS — CID 133494862

IUPAC6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccc(-c2cn3nc(NC4CCOC5(CCCC5)C4)sc3n2)cc1
InChIInChI=1S/C19H21ClN4OS/c20-14-5-3-13(4-6-14)16-12-24-18(22-16)26-17(23-24)21-15-7-10-25-19(11-15)8-1-2-9-19/h3-6,12,15H,1-2,7-11H2,(H,21,23)
InChIKeyZNCRUPBBYOJVME-UHFFFAOYSA-N
MW388.92 g/mol
LogP5.01
Rot. Bonds3

About 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133494862) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133494862
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccc(-c2cn3nc(NC4CCOC5(CCCC5)C4)sc3n2)cc1
InChIInChI=1S/C19H21ClN4OS/c20-14-5-3-13(4-6-14)16-12-24-18(22-16)26-17(23-24)21-15-7-10-25-19(11-15)8-1-2-9-19/h3-6,12,15H,1-2,7-11H2,(H,21,23)
InChIKeyZNCRUPBBYOJVME-UHFFFAOYSA-N
XLogP5.01
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 127470241
1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclopropylpiperidin-4-amine
CID 133494909
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]hydrazine
CID 60919771
5-cyclopropyl-N-(6-oxaspiro[4.5]decan-9-yl)-1,3,4-thiadiazol-2-amine
CID 133383760
7-chloro-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133378078
6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221230
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
4-chloro-2-(5-oxaspiro[3.5]nonan-8-ylamino)benzonitrile
CID 79903296
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-benzothiazol-2-amine
CID 70778453
5-chloro-2-(6-oxaspiro[4.5]decan-9-ylamino)benzonitrile
CID 133377675

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133494862) is 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Clc1ccc(-c2cn3nc(NC4CCOC5(CCCC5)C4)sc3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is ZNCRUPBBYOJVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c20-14-5-3-13(4-6-14)16-12-24-18(22-16)26-17(23-24)21-15-7-10-25-19(11-15)8-1-2-9-19/h3-6,12,15H,1-2,7-11H2,(H,21,23).
What are the key properties of 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 388.92 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(6-oxaspiro[4.5]decan-9-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133494862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).