6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C19H20ClN7S — CID 133493713

IUPAC6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCn1cnnc1C1CCCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)C1
InChIInChI=1S/C19H20ClN7S/c1-2-25-12-21-23-17(25)14-4-3-9-26(10-14)19-24-27-11-16(22-18(27)28-19)13-5-7-15(20)8-6-13/h5-8,11-12,14H,2-4,9-10H2,1H3
InChIKeyYSFZNHSABVIHKK-UHFFFAOYSA-N
MW413.94 g/mol
LogP4.11
Rot. Bonds4

About 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133493713) has the molecular formula C19H20ClN7S and a molecular weight of 413.94 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133493713
Molecular FormulaC19H20ClN7S
Molecular Weight413.94 g/mol
Exact Mass413.12
IUPAC Name6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCn1cnnc1C1CCCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)C1
InChIInChI=1S/C19H20ClN7S/c1-2-25-12-21-23-17(25)14-4-3-9-26(10-14)19-24-27-11-16(22-18(27)28-19)13-5-7-15(20)8-6-13/h5-8,11-12,14H,2-4,9-10H2,1H3
InChIKeyYSFZNHSABVIHKK-UHFFFAOYSA-N
XLogP4.11
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.94
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741
4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole
CID 133452045
N-[2-(4-chlorophenyl)ethyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 20907052
1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclopropylpiperidin-4-amine
CID 133494909
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
CID 133495191
1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol
CID 167905553
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133349177
N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906850
2-[(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 97211645
6-(4-chlorophenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133494765
6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133275736

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 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) is 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is CCn1cnnc1C1CCCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)C1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is YSFZNHSABVIHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7S/c1-2-25-12-21-23-17(25)14-4-3-9-26(10-14)19-24-27-11-16(22-18(27)28-19)13-5-7-15(20)8-6-13/h5-8,11-12,14H,2-4,9-10H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 413.94 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133493713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).