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

C15H23N5O2S — CID 6625554

IUPACN-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NC1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C15H23N5O2S/c1-19(10-12(21)16-11-6-3-2-4-7-11)14-17-18-15(23-14)20-9-5-8-13(20)22/h11H,2-10H2,1H3,(H,16,21)
InChIKeyNEMYYDPYGRSNNR-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.55
Rot. Bonds5

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

N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (PubChem CID 6625554) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
PubChem CID6625554
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
SMILESCN(CC(=O)NC1CCCCC1)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C15H23N5O2S/c1-19(10-12(21)16-11-6-3-2-4-7-11)14-17-18-15(23-14)20-9-5-8-13(20)22/h11H,2-10H2,1H3,(H,16,21)
InChIKeyNEMYYDPYGRSNNR-UHFFFAOYSA-N
XLogP1.55
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Cycloheptyl-2-{methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}acetamide
CID 22513591
1-(5-{Methyl[2-oxo-2-(piperidin-1-yl)ethyl]amino}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 22513648
N-(Butan-2-YL)-1-[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]pyrrolidine-2-carboxamide
CID 22513539
2-{Methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}-N-propylacetamide
CID 22513600
N-cyclopentyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 22513592
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 46344971
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(2-piperidin-1-ylethyl)acetamide
CID 20886519
N-{3-[Cyclohexyl(methyl)amino]propyl}-2-{methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}acetamide
CID 20958098
N-{2-[cyclohexyl(methyl)amino]ethyl}-2-{methyl[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino}acetamide
CID 20958102
N-[3-(4-Cyclohexylpiperazin-1-YL)propyl]-2-{methyl[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}acetamide
CID 20958105
N-cycloheptyl-2-[methyl-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide
CID 20958232
2-{Methyl[5-(2-oxopiperidin-1-YL)-1,3,4-thiadiazol-2-YL]amino}-N-propylacetamide
CID 20958241

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide (CID 6625554) is N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is CN(CC(=O)NC1CCCCC1)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
The InChIKey is NEMYYDPYGRSNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-19(10-12(21)16-11-6-3-2-4-7-11)14-17-18-15(23-14)20-9-5-8-13(20)22/h11H,2-10H2,1H3,(H,16,21).
What are the key properties of N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide?
N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide has a molecular weight of 337.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]acetamide is sourced from PubChem (CID 6625554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).