N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide

C17H27N5O2S — CID 20958232

IUPACN-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NC1CCCCCC1)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H27N5O2S/c1-21(12-14(23)18-13-8-4-2-3-5-9-13)16-19-20-17(25-16)22-11-7-6-10-15(22)24/h13H,2-12H2,1H3,(H,18,23)
InChIKeyQMKPXIHZVULGKB-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.33
Rot. Bonds5

About N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide

N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 20958232) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID20958232
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC NameN-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NC1CCCCCC1)c1nnc(N2CCCCC2=O)s1
InChIInChI=1S/C17H27N5O2S/c1-21(12-14(23)18-13-8-4-2-3-5-9-13)16-19-20-17(25-16)22-11-7-6-10-15(22)24/h13H,2-12H2,1H3,(H,18,23)
InChIKeyQMKPXIHZVULGKB-UHFFFAOYSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 20958232) is N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is CN(CC(=O)NC1CCCCCC1)c1nnc(N2CCCCC2=O)s1.
What is the InChIKey of N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is QMKPXIHZVULGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-21(12-14(23)18-13-8-4-2-3-5-9-13)16-19-20-17(25-16)22-11-7-6-10-15(22)24/h13H,2-12H2,1H3,(H,18,23).
What are the key properties of N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 365.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 20958232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).