methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate

C14H15ClN2O4S — CID 95297675

IUPACmethyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O4S/c1-21-12(18)6-16-13(19)11-7-22-8-17(11)14(20)9-2-4-10(15)5-3-9/h2-5,11H,6-8H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyRXPRFAFCKSGIHI-NSHDSACASA-N
MW342.80 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate

methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate (PubChem CID 95297675) has the molecular formula C14H15ClN2O4S and a molecular weight of 342.80 g/mol. Its IUPAC name is methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
PubChem CID95297675
Molecular FormulaC14H15ClN2O4S
Molecular Weight342.80 g/mol
Exact Mass342.04
IUPAC Namemethyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O4S/c1-21-12(18)6-16-13(19)11-7-22-8-17(11)14(20)9-2-4-10(15)5-3-9/h2-5,11H,6-8H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyRXPRFAFCKSGIHI-NSHDSACASA-N
XLogP1.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate (CID 95297675) is methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate?
The InChIKey is RXPRFAFCKSGIHI-NSHDSACASA-N. The full InChI is InChI=1S/C14H15ClN2O4S/c1-21-12(18)6-16-13(19)11-7-22-8-17(11)14(20)9-2-4-10(15)5-3-9/h2-5,11H,6-8H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate?
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate has a molecular weight of 342.80 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 95297675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).