2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C15H15ClN2O2S2 — CID 53273769

IUPAC2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2ncc(-c3ccc(Cl)cc3)s2)NC1C(=O)O
InChIInChI=1S/C15H15ClN2O2S2/c1-15(2)11(14(19)20)18-13(22-15)12-17-7-10(21-12)8-3-5-9(16)6-4-8/h3-7,11,13,18H,1-2H3,(H,19,20)
InChIKeyWMQFKDHBALAZMW-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.03
Rot. Bonds3

About 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53273769) has the molecular formula C15H15ClN2O2S2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID53273769
Molecular FormulaC15H15ClN2O2S2
Molecular Weight354.88 g/mol
Exact Mass354.03
IUPAC Name2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2ncc(-c3ccc(Cl)cc3)s2)NC1C(=O)O
InChIInChI=1S/C15H15ClN2O2S2/c1-15(2)11(14(19)20)18-13(22-15)12-17-7-10(21-12)8-3-5-9(16)6-4-8/h3-7,11,13,18H,1-2H3,(H,19,20)
InChIKeyWMQFKDHBALAZMW-UHFFFAOYSA-N
XLogP4.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 53273769) is 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(c2ncc(-c3ccc(Cl)cc3)s2)NC1C(=O)O.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WMQFKDHBALAZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S2/c1-15(2)11(14(19)20)18-13(22-15)12-17-7-10(21-12)8-3-5-9(16)6-4-8/h3-7,11,13,18H,1-2H3,(H,19,20).
What are the key properties of 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 354.88 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53273769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).