2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride

C7H11ClN2S2 — CID 71637187

IUPAC2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride
SMILESCl.c1csc(S[C@H]2CCNC2)n1
InChIInChI=1S/C7H10N2S2.ClH/c1-2-8-5-6(1)11-7-9-3-4-10-7;/h3-4,6,8H,1-2,5H2;1H/t6-;/m0./s1
InChIKeyLJLOVQLVXCJMDJ-RGMNGODLSA-N
MW222.77 g/mol
LogP2.02
Rot. Bonds2

About 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride

2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride (PubChem CID 71637187) has the molecular formula C7H11ClN2S2 and a molecular weight of 222.77 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride
PubChem CID71637187
Molecular FormulaC7H11ClN2S2
Molecular Weight222.77 g/mol
Exact Mass222.01
IUPAC Name2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride
SMILESCl.c1csc(S[C@H]2CCNC2)n1
InChIInChI=1S/C7H10N2S2.ClH/c1-2-8-5-6(1)11-7-9-3-4-10-7;/h3-4,6,8H,1-2,5H2;1H/t6-;/m0./s1
InChIKeyLJLOVQLVXCJMDJ-RGMNGODLSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.77
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride (CID 71637187) is 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride is Cl.c1csc(S[C@H]2CCNC2)n1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride?
The InChIKey is LJLOVQLVXCJMDJ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H10N2S2.ClH/c1-2-8-5-6(1)11-7-9-3-4-10-7;/h3-4,6,8H,1-2,5H2;1H/t6-;/m0./s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride?
2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride has a molecular weight of 222.77 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]sulfanyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 71637187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).