2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride

C7H11ClN2OS2 — CID 71645438

IUPAC2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
SMILESCl.O=S(c1nccs1)[C@@H]1CCNC1
InChIInChI=1S/C7H10N2OS2.ClH/c10-12(6-1-2-8-5-6)7-9-3-4-11-7;/h3-4,6,8H,1-2,5H2;1H/t6-,12?;/m1./s1
InChIKeySVZBMQIGAZXVTG-OYGQGYJASA-N
MW238.76 g/mol
LogP1.03
Rot. Bonds2

About 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride

2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride (PubChem CID 71645438) has the molecular formula C7H11ClN2OS2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
PubChem CID71645438
Molecular FormulaC7H11ClN2OS2
Molecular Weight238.76 g/mol
Exact Mass238.00
IUPAC Name2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
SMILESCl.O=S(c1nccs1)[C@@H]1CCNC1
InChIInChI=1S/C7H10N2OS2.ClH/c10-12(6-1-2-8-5-6)7-9-3-4-11-7;/h3-4,6,8H,1-2,5H2;1H/t6-,12?;/m1./s1
InChIKeySVZBMQIGAZXVTG-OYGQGYJASA-N
XLogP1.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride (CID 71645438) is 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride is Cl.O=S(c1nccs1)[C@@H]1CCNC1.
What is the InChIKey of 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride?
The InChIKey is SVZBMQIGAZXVTG-OYGQGYJASA-N. The full InChI is InChI=1S/C7H10N2OS2.ClH/c10-12(6-1-2-8-5-6)7-9-3-4-11-7;/h3-4,6,8H,1-2,5H2;1H/t6-,12?;/m1./s1.
What are the key properties of 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride?
2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 71645438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).