1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C10H12N2O3S — CID 63280349

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ncsc1CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H12N2O3S/c1-6-8(16-5-11-6)4-12-3-7(10(14)15)2-9(12)13/h5,7H,2-4H2,1H3,(H,14,15)
InChIKeyOPZUHAXKDHYSPQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.88
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 63280349) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID63280349
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1ncsc1CN1CC(C(=O)O)CC1=O
InChIInChI=1S/C10H12N2O3S/c1-6-8(16-5-11-6)4-12-3-7(10(14)15)2-9(12)13/h5,7H,2-4H2,1H3,(H,14,15)
InChIKeyOPZUHAXKDHYSPQ-UHFFFAOYSA-N
XLogP0.88
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 63280349) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1ncsc1CN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OPZUHAXKDHYSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-6-8(16-5-11-6)4-12-3-7(10(14)15)2-9(12)13/h5,7H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 240.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63280349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).