(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one

C14H25N5O2S — CID 164635342

IUPAC(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one
SMILESCCc1nsc(N[C@H]2CC(=O)N(CCN(C)CCOC)C2)n1
InChIInChI=1S/C14H25N5O2S/c1-4-12-16-14(22-17-12)15-11-9-13(20)19(10-11)6-5-18(2)7-8-21-3/h11H,4-10H2,1-3H3,(H,15,16,17)/t11-/m0/s1
InChIKeyHQTLKOZZIVHHPE-NSHDSACASA-N
MW327.45 g/mol
LogP0.69
Rot. Bonds9

About (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one

(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one (PubChem CID 164635342) has the molecular formula C14H25N5O2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one
PubChem CID164635342
Molecular FormulaC14H25N5O2S
Molecular Weight327.45 g/mol
Exact Mass327.17
IUPAC Name(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one
SMILESCCc1nsc(N[C@H]2CC(=O)N(CCN(C)CCOC)C2)n1
InChIInChI=1S/C14H25N5O2S/c1-4-12-16-14(22-17-12)15-11-9-13(20)19(10-11)6-5-18(2)7-8-21-3/h11H,4-10H2,1-3H3,(H,15,16,17)/t11-/m0/s1
InChIKeyHQTLKOZZIVHHPE-NSHDSACASA-N
XLogP0.69
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
1-Tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924183
1-Tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71976849
1-Tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 75376042
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
1-Cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924182
1-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 91643484
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 164633149
4-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133507855
N-cyclopropyl-3-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxamide
CID 171326598
5-[[(3-Propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 65274456
1-Methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidine-2,5-dione
CID 65688082

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one (CID 164635342) is (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one is CCc1nsc(N[C@H]2CC(=O)N(CCN(C)CCOC)C2)n1.
What is the InChIKey of (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one?
The InChIKey is HQTLKOZZIVHHPE-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N5O2S/c1-4-12-16-14(22-17-12)15-11-9-13(20)19(10-11)6-5-18(2)7-8-21-3/h11H,4-10H2,1-3H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one?
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one has a molecular weight of 327.45 g/mol, XLogP of 0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 164635342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).