(3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol

C7H12N2S2 — CID 150983894

IUPAC(3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol
SMILESS[C@H]1CCN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S2/c10-6-1-3-9(5-6)7-8-2-4-11-7/h6,10H,1-5H2/t6-/m0/s1
InChIKeyLQQXVSWBIKKNFP-LURJTMIESA-N
MW188.32 g/mol
LogP1.09
Rot. Bonds

About (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol

(3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol (PubChem CID 150983894) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol.

Molecular Properties

Compound Name(3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol
PubChem CID150983894
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name(3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol
SMILESS[C@H]1CCN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S2/c10-6-1-3-9(5-6)7-8-2-4-11-7/h6,10H,1-5H2/t6-/m0/s1
InChIKeyLQQXVSWBIKKNFP-LURJTMIESA-N
XLogP1.09
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Methylimino-3,5-dimethylthiazolidine
CID 12718849
5-Methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide
CID 17389266
2-(Pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 12320961
2,3,5,6,7,8-Hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine
CID 12826604
[1-(4,5-Dihydro-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanethiol
CID 141914276
1-(4,5-Dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol
CID 141914299
1-[4,5-Dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol
CID 142894457
5-Methyl-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 3571632
3-ethyl-N,5-dimethyl-1,3-thiazolidin-2-imine
CID 12718850
(3,5-Dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
CID 12718861
(3-Propyl-1,3-thiazolidin-2-ylidene)cyanamide
CID 15163841
1-Ethylthio-1-pyrrolidinyl-2-azapent-1-ene
CID 19578573

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol?
The IUPAC name of (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol (CID 150983894) is (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol.
What is the SMILES notation for (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol?
The canonical SMILES for (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol is S[C@H]1CCN(C2=NCCS2)C1.
What is the InChIKey of (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol?
The InChIKey is LQQXVSWBIKKNFP-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2S2/c10-6-1-3-9(5-6)7-8-2-4-11-7/h6,10H,1-5H2/t6-/m0/s1.
What are the key properties of (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol?
(3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol has a molecular weight of 188.32 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol is sourced from PubChem (CID 150983894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).