N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

C16H20N6O2S — CID 118791672

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCCc1nnc(CNC(=O)c2nccnc2C(=O)N2CCCCC2)s1
InChIInChI=1S/C16H20N6O2S/c1-2-11-20-21-12(25-11)10-19-15(23)13-14(18-7-6-17-13)16(24)22-8-4-3-5-9-22/h6-7H,2-5,8-10H2,1H3,(H,19,23)
InChIKeyQLDCFFWVTNPIIF-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.45
Rot. Bonds5

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide (PubChem CID 118791672) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
PubChem CID118791672
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCCc1nnc(CNC(=O)c2nccnc2C(=O)N2CCCCC2)s1
InChIInChI=1S/C16H20N6O2S/c1-2-11-20-21-12(25-11)10-19-15(23)13-14(18-7-6-17-13)16(24)22-8-4-3-5-9-22/h6-7H,2-5,8-10H2,1H3,(H,19,23)
InChIKeyQLDCFFWVTNPIIF-UHFFFAOYSA-N
XLogP1.45
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 118765190
1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72889005
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-fluorophenyl)-2-piperidin-1-ylacetamide
CID 91832556
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72917320
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125173578
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 91837567
(3-aminopyrazin-2-yl)-[3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]azocan-1-yl]methanone
CID 138007611
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125175923
3-(piperidine-1-carbonyl)-N-propyl-N-(thiophen-3-ylmethyl)pyrazine-2-carboxamide
CID 74245601
2-(dimethylamino)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrimidine-5-carboxamide
CID 72866799
[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 74238564

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide (CID 118791672) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide is CCc1nnc(CNC(=O)c2nccnc2C(=O)N2CCCCC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
The InChIKey is QLDCFFWVTNPIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-2-11-20-21-12(25-11)10-19-15(23)13-14(18-7-6-17-13)16(24)22-8-4-3-5-9-22/h6-7H,2-5,8-10H2,1H3,(H,19,23).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118791672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).