(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C10H13N3O3S — CID 124512511

IUPAC(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCc1nnsc1C(=O)N1CC[C@H](C(=O)O)C1
InChIInChI=1S/C10H13N3O3S/c1-2-7-8(17-12-11-7)9(14)13-4-3-6(5-13)10(15)16/h6H,2-5H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyFUORMSJIHBMIDQ-LURJTMIESA-N
MW255.30 g/mol
LogP0.65
Rot. Bonds3

About (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid

(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 124512511) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID124512511
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCc1nnsc1C(=O)N1CC[C@H](C(=O)O)C1
InChIInChI=1S/C10H13N3O3S/c1-2-7-8(17-12-11-7)9(14)13-4-3-6(5-13)10(15)16/h6H,2-5H2,1H3,(H,15,16)/t6-/m0/s1
InChIKeyFUORMSJIHBMIDQ-LURJTMIESA-N
XLogP0.65
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
(3R,4R)-4-cyclopropyl-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979576
2-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 65206136
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 65205242
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
(3R)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512513

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 124512511) is (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid is CCc1nnsc1C(=O)N1CC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FUORMSJIHBMIDQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-7-8(17-12-11-7)9(14)13-4-3-6(5-13)10(15)16/h6H,2-5H2,1H3,(H,15,16)/t6-/m0/s1.
What are the key properties of (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124512511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).