(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid

C12H13NO4S — CID 809599

IUPAC(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@@H](c2ccoc2)N1C(=O)C1CC1
InChIInChI=1S/C12H13NO4S/c14-10(7-1-2-7)13-9(12(15)16)6-18-11(13)8-3-4-17-5-8/h3-5,7,9,11H,1-2,6H2,(H,15,16)/t9-,11-/m0/s1
InChIKeySNEZGXSNFWFQTQ-ONGXEEELSA-N
MW267.31 g/mol
LogP1.72
Rot. Bonds3

About (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid

(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 809599) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID809599
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CS[C@@H](c2ccoc2)N1C(=O)C1CC1
InChIInChI=1S/C12H13NO4S/c14-10(7-1-2-7)13-9(12(15)16)6-18-11(13)8-3-4-17-5-8/h3-5,7,9,11H,1-2,6H2,(H,15,16)/t9-,11-/m0/s1
InChIKeySNEZGXSNFWFQTQ-ONGXEEELSA-N
XLogP1.72
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 3627194
(2R,4R)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809634
(2S,4S)-3-(2-chlorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809630
3-(cyclopropanecarbonyl)-2-(furan-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744985
(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809627
N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745001
2-(furan-3-yl)-3-propanoyl-N,N-dipropyl-1,3-thiazolidine-4-carboxamide
CID 42744933
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
3-acetyl-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42744974
(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
(2R)-2-(1-oxidopyridin-1-ium-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 91242899
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid (CID 809599) is (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CS[C@@H](c2ccoc2)N1C(=O)C1CC1.
What is the InChIKey of (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SNEZGXSNFWFQTQ-ONGXEEELSA-N. The full InChI is InChI=1S/C12H13NO4S/c14-10(7-1-2-7)13-9(12(15)16)6-18-11(13)8-3-4-17-5-8/h3-5,7,9,11H,1-2,6H2,(H,15,16)/t9-,11-/m0/s1.
What are the key properties of (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid?
(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 809599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).