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

C19H32N6O2S — CID 20958098

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NCCCN(C)C1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C19H32N6O2S/c1-23(15-8-4-3-5-9-15)12-7-11-20-16(26)14-24(2)18-21-22-19(28-18)25-13-6-10-17(25)27/h15H,3-14H2,1-2H3,(H,20,26)
InChIKeyCXKXVEARIVPOBJ-UHFFFAOYSA-N
MW408.57 g/mol
LogP1.87
Rot. Bonds9

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

N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 20958098) has the molecular formula C19H32N6O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID20958098
Molecular FormulaC19H32N6O2S
Molecular Weight408.57 g/mol
Exact Mass408.23
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NCCCN(C)C1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C19H32N6O2S/c1-23(15-8-4-3-5-9-15)12-7-11-20-16(26)14-24(2)18-21-22-19(28-18)25-13-6-10-17(25)27/h15H,3-14H2,1-2H3,(H,20,26)
InChIKeyCXKXVEARIVPOBJ-UHFFFAOYSA-N
XLogP1.87
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 20958098) is N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is CN(CC(=O)NCCCN(C)C1CCCCC1)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is CXKXVEARIVPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2S/c1-23(15-8-4-3-5-9-15)12-7-11-20-16(26)14-24(2)18-21-22-19(28-18)25-13-6-10-17(25)27/h15H,3-14H2,1-2H3,(H,20,26).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 408.57 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 20958098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).