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

C16H25N5O2S — CID 22513591

IUPACN-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NC1CCCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C16H25N5O2S/c1-20(11-13(22)17-12-7-4-2-3-5-8-12)15-18-19-16(24-15)21-10-6-9-14(21)23/h12H,2-11H2,1H3,(H,17,22)
InChIKeyCAAJEYFQUVOWQX-UHFFFAOYSA-N
MW351.48 g/mol
LogP1.94
Rot. Bonds5

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

N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 22513591) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID22513591
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC NameN-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NC1CCCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C16H25N5O2S/c1-20(11-13(22)17-12-7-4-2-3-5-8-12)15-18-19-16(24-15)21-10-6-9-14(21)23/h12H,2-11H2,1H3,(H,17,22)
InChIKeyCAAJEYFQUVOWQX-UHFFFAOYSA-N
XLogP1.94
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 51.94
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-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 22513591) is N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is CN(CC(=O)NC1CCCCCC1)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is CAAJEYFQUVOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-20(11-13(22)17-12-7-4-2-3-5-8-12)15-18-19-16(24-15)21-10-6-9-14(21)23/h12H,2-11H2,1H3,(H,17,22).
What are the key properties of N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-cycloheptyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 351.48 g/mol, XLogP of 1.94, 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-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 22513591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).