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

C18H20FN5OS — CID 6625912

IUPACN-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C18H20FN5OS/c1-2-20-16(25)13-7-9-23(10-8-13)18-22-24-11-15(21-17(24)26-18)12-3-5-14(19)6-4-12/h3-6,11,13H,2,7-10H2,1H3,(H,20,25)
InChIKeyDXKVFEZLABCBCG-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.95
Rot. Bonds4

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

N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 6625912) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID6625912
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC NameN-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C18H20FN5OS/c1-2-20-16(25)13-7-9-23(10-8-13)18-22-24-11-15(21-17(24)26-18)12-3-5-14(19)6-4-12/h3-6,11,13H,2,7-10H2,1H3,(H,20,25)
InChIKeyDXKVFEZLABCBCG-UHFFFAOYSA-N
XLogP2.95
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide (CID 6625912) is N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide is CCNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is DXKVFEZLABCBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-2-20-16(25)13-7-9-23(10-8-13)18-22-24-11-15(21-17(24)26-18)12-3-5-14(19)6-4-12/h3-6,11,13H,2,7-10H2,1H3,(H,20,25).
What are the key properties of N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 6625912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).