(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C13H20N4O3S — CID 9401919

IUPAC(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCOCc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)s1
InChIInChI=1S/C13H20N4O3S/c1-4-20-7-10-15-16-13(21-10)14-12(19)9-5-11(18)17(6-9)8(2)3/h8-9H,4-7H2,1-3H3,(H,14,16,19)/t9-/m0/s1
InChIKeyCXHNPDVKTTXJDT-VIFPVBQESA-N
MW312.40 g/mol
LogP1.27
Rot. Bonds6

About (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 9401919) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID9401919
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCOCc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)s1
InChIInChI=1S/C13H20N4O3S/c1-4-20-7-10-15-16-13(21-10)14-12(19)9-5-11(18)17(6-9)8(2)3/h8-9H,4-7H2,1-3H3,(H,14,16,19)/t9-/m0/s1
InChIKeyCXHNPDVKTTXJDT-VIFPVBQESA-N
XLogP1.27
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401626
(3S)-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401636
(3R)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7369876
(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401209
(3S)-5-oxo-N-[5-[(2S)-2-phenylpropyl]-1,3,4-thiadiazol-2-yl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9402271
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119912
(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388341
(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337089
(3R)-N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9402439
(3S)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9373414
(3R)-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41066165
ethyl 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate
CID 3158223

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 9401919) is (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)s1.
What is the InChIKey of (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is CXHNPDVKTTXJDT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-4-20-7-10-15-16-13(21-10)14-12(19)9-5-11(18)17(6-9)8(2)3/h8-9H,4-7H2,1-3H3,(H,14,16,19)/t9-/m0/s1.
What are the key properties of (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9401919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).