(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate

C14H12ClN2O2S- — CID 6577339

IUPAC(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H13ClN2O2S/c15-10-5-3-9(4-6-10)11-8-20-14(16-11)17-7-1-2-12(17)13(18)19/h3-6,8,12H,1-2,7H2,(H,18,19)/p-1/t12-/m1/s1
InChIKeyPMOVHFBTDLEVDP-GFCCVEGCSA-M
MW307.78 g/mol
LogP2.18
Rot. Bonds3

About (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate

(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate (PubChem CID 6577339) has the molecular formula C14H12ClN2O2S- and a molecular weight of 307.78 g/mol. Its IUPAC name is (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
PubChem CID6577339
Molecular FormulaC14H12ClN2O2S-
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H13ClN2O2S/c15-10-5-3-9(4-6-10)11-8-20-14(16-11)17-7-1-2-12(17)13(18)19/h3-6,8,12H,1-2,7H2,(H,18,19)/p-1/t12-/m1/s1
InChIKeyPMOVHFBTDLEVDP-GFCCVEGCSA-M
XLogP2.18
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 120965088
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122058968
1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83152836
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1038969
benzyl (2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1283055
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(4-chlorophenyl)-1,3-thiazole
CID 565978
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine-3,5-dione
CID 1489710
(2R)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124526137
[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 133371791
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate (CID 6577339) is (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate is O=C([O-])[C@H]1CCCN1c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is PMOVHFBTDLEVDP-GFCCVEGCSA-M. The full InChI is InChI=1S/C14H13ClN2O2S/c15-10-5-3-9(4-6-10)11-8-20-14(16-11)17-7-1-2-12(17)13(18)19/h3-6,8,12H,1-2,7H2,(H,18,19)/p-1/t12-/m1/s1.
What are the key properties of (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate?
(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 307.78 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 6577339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).