4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide

C18H22N8OS — CID 136529102

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCCc1nsc(N2CCN(C(=O)NCc3cccnc3-n3ccnc3)CC2)n1
InChIInChI=1S/C18H22N8OS/c1-2-15-22-18(28-23-15)25-10-8-24(9-11-25)17(27)21-12-14-4-3-5-20-16(14)26-7-6-19-13-26/h3-7,13H,2,8-12H2,1H3,(H,21,27)
InChIKeySUSLAMAPLGHHLM-UHFFFAOYSA-N
MW398.50 g/mol
LogP1.71
Rot. Bonds5

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 136529102) has the molecular formula C18H22N8OS and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID136529102
Molecular FormulaC18H22N8OS
Molecular Weight398.50 g/mol
Exact Mass398.16
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCCc1nsc(N2CCN(C(=O)NCc3cccnc3-n3ccnc3)CC2)n1
InChIInChI=1S/C18H22N8OS/c1-2-15-22-18(28-23-15)25-10-8-24(9-11-25)17(27)21-12-14-4-3-5-20-16(14)26-7-6-19-13-26/h3-7,13H,2,8-12H2,1H3,(H,21,27)
InChIKeySUSLAMAPLGHHLM-UHFFFAOYSA-N
XLogP1.71
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71870648
N-[(2-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60580723
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 71992611
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 126779312
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 37194009
4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-ethyl-1,4-diazepane-1-carboxamide
CID 811303
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-ethylpiperazine-1-carboxamide
CID 4242322
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 136528933

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide (CID 136529102) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide is CCc1nsc(N2CCN(C(=O)NCc3cccnc3-n3ccnc3)CC2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is SUSLAMAPLGHHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8OS/c1-2-15-22-18(28-23-15)25-10-8-24(9-11-25)17(27)21-12-14-4-3-5-20-16(14)26-7-6-19-13-26/h3-7,13H,2,8-12H2,1H3,(H,21,27).
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 136529102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).