prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

C11H14N2O2S2 — CID 11021968

IUPACprop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC[C@@H]1c1nc(S)cs1
InChIInChI=1S/C11H14N2O2S2/c1-2-6-15-11(14)13-5-3-4-8(13)10-12-9(16)7-17-10/h2,7-8,16H,1,3-6H2/t8-/m1/s1
InChIKeyMNCZTJWVTKYTOT-MRVPVSSYSA-N
MW270.38 g/mol
LogP2.89
Rot. Bonds3

About prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate

prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 11021968) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID11021968
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Nameprop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC[C@@H]1c1nc(S)cs1
InChIInChI=1S/C11H14N2O2S2/c1-2-6-15-11(14)13-5-3-4-8(13)10-12-9(16)7-17-10/h2,7-8,16H,1,3-6H2/t8-/m1/s1
InChIKeyMNCZTJWVTKYTOT-MRVPVSSYSA-N
XLogP2.89
TPSA42.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 123326617
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 67357840
methyl 2-[2-[2-[1-(2-methoxy-2-oxoacetyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2-oxoacetate
CID 23532314
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
tert-butyl (2S)-2-[5-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 67224828
propyl 2-[1-[(Z)-3-(dimethylamino)-2-(methylamino)prop-2-enoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 137473086
prop-2-enyl (2R)-2-[3-[[9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoylamino]methyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 134353532
(3-chlorophenyl)methyl 2-[4-[[2-(methylamino)-2-oxoethyl]carbamoyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 137473092
tert-butyl 2-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 67358584
2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-1-prop-2-enoxycarbonylpyrrolidin-2-yl]acetic acid
CID 10405189
6-prop-2-enoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-5-carboxylic acid
CID 167729271

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate (CID 11021968) is prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CCC[C@@H]1c1nc(S)cs1.
What is the InChIKey of prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is MNCZTJWVTKYTOT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-2-6-15-11(14)13-5-3-4-8(13)10-12-9(16)7-17-10/h2,7-8,16H,1,3-6H2/t8-/m1/s1.
What are the key properties of prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate?
prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 270.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R)-2-(4-sulfanyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11021968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).