(2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide

C13H20N4O2S — CID 128849935

IUPAC(2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(c2nc(C3CCCC3)ns2)C1
InChIInChI=1S/C13H20N4O2S/c1-19-9-6-10(11(14)18)17(7-9)13-15-12(16-20-13)8-4-2-3-5-8/h8-10H,2-7H2,1H3,(H2,14,18)/t9-,10-/m0/s1
InChIKeyPDGDKXHMILBVJG-UWVGGRQHSA-N
MW296.40 g/mol
LogP1.27
Rot. Bonds4

About (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128849935) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID128849935
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name(2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(c2nc(C3CCCC3)ns2)C1
InChIInChI=1S/C13H20N4O2S/c1-19-9-6-10(11(14)18)17(7-9)13-15-12(16-20-13)8-4-2-3-5-8/h8-10H,2-7H2,1H3,(H2,14,18)/t9-,10-/m0/s1
InChIKeyPDGDKXHMILBVJG-UWVGGRQHSA-N
XLogP1.27
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 65272881
1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
CID 154830337
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 133424929
(2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 128978423
(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 128978202
(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 128978229
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylate
CID 79839034
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776528
methyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylate
CID 65274693
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
(2S,4S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 128978284
(2S,4S)-1-(5,7-dichloro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 128978231

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide (CID 128849935) is (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(c2nc(C3CCCC3)ns2)C1.
What is the InChIKey of (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is PDGDKXHMILBVJG-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-19-9-6-10(11(14)18)17(7-9)13-15-12(16-20-13)8-4-2-3-5-8/h8-10H,2-7H2,1H3,(H2,14,18)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(3-cyclopentyl-1,2,4-thiadiazol-5-yl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128849935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).