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

C19H21ClN4O2S — CID 155915672

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)NCC3(c4ccc(Cl)cc4)CC3)CC2=O)s1
InChIInChI=1S/C19H21ClN4O2S/c1-2-15-22-23-18(27-15)24-10-12(9-16(24)25)17(26)21-11-19(7-8-19)13-3-5-14(20)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,21,26)
InChIKeySRWLUGQGOPFNRL-UHFFFAOYSA-N
MW404.92 g/mol
LogP2.95
Rot. Bonds6

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

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 155915672) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID155915672
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nnc(N2CC(C(=O)NCC3(c4ccc(Cl)cc4)CC3)CC2=O)s1
InChIInChI=1S/C19H21ClN4O2S/c1-2-15-22-23-18(27-15)24-10-12(9-16(24)25)17(26)21-11-19(7-8-19)13-3-5-14(20)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,21,26)
InChIKeySRWLUGQGOPFNRL-UHFFFAOYSA-N
XLogP2.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-2-methylphenyl)methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155508536
N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155491366
1-(2-ethylphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 134037352
N-[(2-chlorophenyl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 154571211
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 55492788
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
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 154823606
(3S)-1-(5-chloro-2-methylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 51698555
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 154565088
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-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155495117
1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 155505454

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 155915672) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CCc1nnc(N2CC(C(=O)NCC3(c4ccc(Cl)cc4)CC3)CC2=O)s1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SRWLUGQGOPFNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-2-15-22-23-18(27-15)24-10-12(9-16(24)25)17(26)21-11-19(7-8-19)13-3-5-14(20)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,21,26).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.92 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 155915672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).