1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C22H27FN6O2S — CID 20906813

IUPAC1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C22H27FN6O2S/c23-18-3-1-16(2-4-18)19-15-29-21(25-19)32-22(26-29)28-8-5-17(6-9-28)20(30)24-7-10-27-11-13-31-14-12-27/h1-4,15,17H,5-14H2,(H,24,30)
InChIKeyYTKSGYWYVLTVPB-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.26
Rot. Bonds6

About 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 20906813) has the molecular formula C22H27FN6O2S and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID20906813
Molecular FormulaC22H27FN6O2S
Molecular Weight458.56 g/mol
Exact Mass458.19
IUPAC Name1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C22H27FN6O2S/c23-18-3-1-16(2-4-18)19-15-29-21(25-19)32-22(26-29)28-8-5-17(6-9-28)20(30)24-7-10-27-11-13-31-14-12-27/h1-4,15,17H,5-14H2,(H,24,30)
InChIKeyYTKSGYWYVLTVPB-UHFFFAOYSA-N
XLogP2.26
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 20906799
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 20906896
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 20906797
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 20907014
N-[2-(dimethylamino)ethyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906859
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 47053019
N-butyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 49431572
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide
CID 55915881
N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
CID 133272090
N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906863

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 20906813) is 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is YTKSGYWYVLTVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O2S/c23-18-3-1-16(2-4-18)19-15-29-21(25-19)32-22(26-29)28-8-5-17(6-9-28)20(30)24-7-10-27-11-13-31-14-12-27/h1-4,15,17H,5-14H2,(H,24,30).
What are the key properties of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 20906813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).