N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide

C9H13N5O2S — CID 107641827

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
SMILESCCc1nnc(NC(=O)C2CNC(=O)CN2)s1
InChIInChI=1S/C9H13N5O2S/c1-2-7-13-14-9(17-7)12-8(16)5-3-11-6(15)4-10-5/h5,10H,2-4H2,1H3,(H,11,15)(H,12,14,16)
InChIKeyMADBWMSEXZKIEA-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.87
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide (PubChem CID 107641827) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
PubChem CID107641827
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
SMILESCCc1nnc(NC(=O)C2CNC(=O)CN2)s1
InChIInChI=1S/C9H13N5O2S/c1-2-7-13-14-9(17-7)12-8(16)5-3-11-6(15)4-10-5/h5,10H,2-4H2,1H3,(H,11,15)(H,12,14,16)
InChIKeyMADBWMSEXZKIEA-UHFFFAOYSA-N
XLogP-0.87
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 119675992
(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107641825
5-oxo-N-(1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 107433315
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate
CID 107435879
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 114137130
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107433364
N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107436577
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 107641885
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
N-(1-methylpyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107434741

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide (CID 107641827) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide is CCc1nnc(NC(=O)C2CNC(=O)CN2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide?
The InChIKey is MADBWMSEXZKIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c1-2-7-13-14-9(17-7)12-8(16)5-3-11-6(15)4-10-5/h5,10H,2-4H2,1H3,(H,11,15)(H,12,14,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide has a molecular weight of 255.30 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107641827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).