1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

C8H9ClN2O2S — CID 83152836

IUPAC1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1nc(Cl)cs1
InChIInChI=1S/C8H9ClN2O2S/c9-6-4-14-8(10-6)11-3-1-2-5(11)7(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyAPPNVWCHCCNQLK-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.85
Rot. Bonds2

About 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 83152836) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID83152836
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1nc(Cl)cs1
InChIInChI=1S/C8H9ClN2O2S/c9-6-4-14-8(10-6)11-3-1-2-5(11)7(12)13/h4-5H,1-3H2,(H,12,13)
InChIKeyAPPNVWCHCCNQLK-UHFFFAOYSA-N
XLogP1.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
4-(4-chloro-1,3-thiazol-2-yl)thiomorpholine-3-carboxylic acid
CID 83153211
(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)-2-methylpiperidin-3-ol
CID 131207459
(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 6577339
1-[1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 83155383
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-chloro-1,3-thiazole
CID 130714926
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148
2-(4-chloro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 83153320
1-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83155375
1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid (CID 83152836) is 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1nc(Cl)cs1.
What is the InChIKey of 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is APPNVWCHCCNQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-6-4-14-8(10-6)11-3-1-2-5(11)7(12)13/h4-5H,1-3H2,(H,12,13).
What are the key properties of 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 232.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83152836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).