N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

C17H22N6O3S — CID 136528933

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCCc1nsc(N2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)n1
InChIInChI=1S/C17H22N6O3S/c1-2-15-20-17(27-21-15)23-9-7-22(8-10-23)16(25)19-12-3-5-13(6-4-12)26-11-14(18)24/h3-6H,2,7-11H2,1H3,(H2,18,24)(H,19,25)
InChIKeyXMXGZEAKBDPYEV-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.32
Rot. Bonds6

About N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 136528933) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID136528933
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCCc1nsc(N2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)n1
InChIInChI=1S/C17H22N6O3S/c1-2-15-20-17(27-21-15)23-9-7-22(8-10-23)16(25)19-12-3-5-13(6-4-12)26-11-14(18)24/h3-6H,2,7-11H2,1H3,(H2,18,24)(H,19,25)
InChIKeyXMXGZEAKBDPYEV-UHFFFAOYSA-N
XLogP1.32
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 136528915
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 133333041
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 5131172
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 71992611
4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 4012627
N-(4-bromophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide
CID 4590990
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 3891439
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 71989309
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 136512975
4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide
CID 5225773
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71870648
N-(4-ethoxyphenyl)-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799978

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 136528933) is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is CCc1nsc(N2CCN(C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is XMXGZEAKBDPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3S/c1-2-15-20-17(27-21-15)23-9-7-22(8-10-23)16(25)19-12-3-5-13(6-4-12)26-11-14(18)24/h3-6H,2,7-11H2,1H3,(H2,18,24)(H,19,25).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 136528933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).