N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C19H31N5O2S — CID 155491366

IUPACN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)NCC3(N(C)CC)CCCCC3)CC2=O)s1
InChIInChI=1S/C19H31N5O2S/c1-4-15-21-22-18(27-15)24-12-14(11-16(24)25)17(26)20-13-19(23(3)5-2)9-7-6-8-10-19/h14H,4-13H2,1-3H3,(H,20,26)
InChIKeyXQAGQHKUYUHFLL-UHFFFAOYSA-N
MW393.56 g/mol
LogP2.22
Rot. Bonds7

About N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 155491366) has the molecular formula C19H31N5O2S and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID155491366
Molecular FormulaC19H31N5O2S
Molecular Weight393.56 g/mol
Exact Mass393.22
IUPAC NameN-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)NCC3(N(C)CC)CCCCC3)CC2=O)s1
InChIInChI=1S/C19H31N5O2S/c1-4-15-21-22-18(27-15)24-12-14(11-16(24)25)17(26)20-13-19(23(3)5-2)9-7-6-8-10-19/h14H,4-13H2,1-3H3,(H,20,26)
InChIKeyXQAGQHKUYUHFLL-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155915672
(3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97196138
N-[(3-chloro-2-methylphenyl)methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508536
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 155499730
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 154820579
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154823517
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 154823606
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904637
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155493660
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662204
4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 154564819

Frequently Asked Questions

What is the IUPAC name of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 155491366) is N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CCc1nnc(N2CC(C(=O)NCC3(N(C)CC)CCCCC3)CC2=O)s1.
What is the InChIKey of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XQAGQHKUYUHFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2S/c1-4-15-21-22-18(27-15)24-12-14(11-16(24)25)17(26)20-13-19(23(3)5-2)9-7-6-8-10-19/h14H,4-13H2,1-3H3,(H,20,26).
What are the key properties of N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.56 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155491366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).