1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one

C17H28N6O2S — CID 46344990

IUPAC1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one
SMILESCCCN1CCN(C(=O)CN(C)c2nnc(N3CCCCC3=O)s2)CC1
InChIInChI=1S/C17H28N6O2S/c1-3-7-21-9-11-22(12-10-21)15(25)13-20(2)16-18-19-17(26-16)23-8-5-4-6-14(23)24/h3-13H2,1-2H3
InChIKeyBCEUPJLDWSFOKD-UHFFFAOYSA-N
MW380.52 g/mol
LogP1.05
Rot. Bonds6

About 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one

1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one (PubChem CID 46344990) has the molecular formula C17H28N6O2S and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one
PubChem CID46344990
Molecular FormulaC17H28N6O2S
Molecular Weight380.52 g/mol
Exact Mass380.20
IUPAC Name1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one
SMILESCCCN1CCN(C(=O)CN(C)c2nnc(N3CCCCC3=O)s2)CC1
InChIInChI=1S/C17H28N6O2S/c1-3-7-21-9-11-22(12-10-21)15(25)13-20(2)16-18-19-17(26-16)23-8-5-4-6-14(23)24/h3-13H2,1-2H3
InChIKeyBCEUPJLDWSFOKD-UHFFFAOYSA-N
XLogP1.05
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one with MolForge

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Related Compounds

1-[5-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 22513644
1-[5-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 20958087
1-[5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 22513642
2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20958246
N-[(4-fluorophenyl)methyl]-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 20958250
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513623
N-(4-methoxyphenyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513587
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513598
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 20958096
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide
CID 22513617
N-[3-[butyl(furan-2-ylmethyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 20958112
2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438253

Frequently Asked Questions

What is the IUPAC name of 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one?
The IUPAC name of 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one (CID 46344990) is 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one?
The canonical SMILES for 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one is CCCN1CCN(C(=O)CN(C)c2nnc(N3CCCCC3=O)s2)CC1.
What is the InChIKey of 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one?
The InChIKey is BCEUPJLDWSFOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2S/c1-3-7-21-9-11-22(12-10-21)15(25)13-20(2)16-18-19-17(26-16)23-8-5-4-6-14(23)24/h3-13H2,1-2H3.
What are the key properties of 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one?
1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one has a molecular weight of 380.52 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methyl-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]amino]-1,3,4-thiadiazol-2-yl]piperidin-2-one is sourced from PubChem (CID 46344990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).