ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

C12H19N5O3S — CID 17066457

IUPACethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2nnc(C)s2)CC1
InChIInChI=1S/C12H19N5O3S/c1-3-20-12(19)17-6-4-16(5-7-17)8-10(18)13-11-15-14-9(2)21-11/h3-8H2,1-2H3,(H,13,15,18)
InChIKeyFZYPBLSRNCOXLN-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.56
Rot. Bonds4

About ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 17066457) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID17066457
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Nameethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(=O)Nc2nnc(C)s2)CC1
InChIInChI=1S/C12H19N5O3S/c1-3-20-12(19)17-6-4-16(5-7-17)8-10(18)13-11-15-14-9(2)21-11/h3-8H2,1-2H3,(H,13,15,18)
InChIKeyFZYPBLSRNCOXLN-UHFFFAOYSA-N
XLogP0.56
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate with MolForge

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Related Compounds

2-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 97038969
2-[4-(methoxymethyl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121091650
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197278
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22195848
ethyl 4-(2-hydrazinyl-2-oxoethyl)piperazine-1-carboxylate
CID 107877747
ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17121909
2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17379713
2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 90495488
ethyl 4-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 36800258
ethyl 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 107877685
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 17066457) is ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(=O)Nc2nnc(C)s2)CC1.
What is the InChIKey of ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is FZYPBLSRNCOXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-3-20-12(19)17-6-4-16(5-7-17)8-10(18)13-11-15-14-9(2)21-11/h3-8H2,1-2H3,(H,13,15,18).
What are the key properties of ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 17066457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).