3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole

C7H10ClN3OS — CID 129414372

IUPAC3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole
SMILESCO[C@@H]1CCN(c2nsnc2Cl)C1
InChIInChI=1S/C7H10ClN3OS/c1-12-5-2-3-11(4-5)7-6(8)9-13-10-7/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyFKVQAQWXFGQBII-RXMQYKEDSA-N
MW219.70 g/mol
LogP1.42
Rot. Bonds2

About 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole

3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole (PubChem CID 129414372) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole
PubChem CID129414372
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole
SMILESCO[C@@H]1CCN(c2nsnc2Cl)C1
InChIInChI=1S/C7H10ClN3OS/c1-12-5-2-3-11(4-5)7-6(8)9-13-10-7/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyFKVQAQWXFGQBII-RXMQYKEDSA-N
XLogP1.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole (CID 129414372) is 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole is CO[C@@H]1CCN(c2nsnc2Cl)C1.
What is the InChIKey of 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole?
The InChIKey is FKVQAQWXFGQBII-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-12-5-2-3-11(4-5)7-6(8)9-13-10-7/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole?
3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole has a molecular weight of 219.70 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3R)-3-methoxypyrrolidin-1-yl]-1,2,5-thiadiazole is sourced from PubChem (CID 129414372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).