N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C16H24N4O3S — CID 108805642

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2nnc(C3CCCCC3)s2)CC1=O
InChIInChI=1S/C16H24N4O3S/c1-23-8-7-20-10-12(9-13(20)21)14(22)17-16-19-18-15(24-16)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,17,19,22)
InChIKeyHATSITVKHIQFHJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.02
Rot. Bonds6

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108805642) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108805642
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2nnc(C3CCCCC3)s2)CC1=O
InChIInChI=1S/C16H24N4O3S/c1-23-8-7-20-10-12(9-13(20)21)14(22)17-16-19-18-15(24-16)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,17,19,22)
InChIKeyHATSITVKHIQFHJ-UHFFFAOYSA-N
XLogP2.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 108805642) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)Nc2nnc(C3CCCCC3)s2)CC1=O.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HATSITVKHIQFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-23-8-7-20-10-12(9-13(20)21)14(22)17-16-19-18-15(24-16)11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,17,19,22).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108805642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).