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

C11H15N3O3S2 — CID 63780770

IUPAC2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ncc(CNC(=O)N2C(C)SCC2C(=O)O)s1
InChIInChI=1S/C11H15N3O3S2/c1-6-12-3-8(19-6)4-13-11(17)14-7(2)18-5-9(14)10(15)16/h3,7,9H,4-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySYMMYTNUVNIMOY-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.51
Rot. Bonds3

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

2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780770) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780770
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ncc(CNC(=O)N2C(C)SCC2C(=O)O)s1
InChIInChI=1S/C11H15N3O3S2/c1-6-12-3-8(19-6)4-13-11(17)14-7(2)18-5-9(14)10(15)16/h3,7,9H,4-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySYMMYTNUVNIMOY-UHFFFAOYSA-N
XLogP1.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63780770) is 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ncc(CNC(=O)N2C(C)SCC2C(=O)O)s1.
What is the InChIKey of 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SYMMYTNUVNIMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-6-12-3-8(19-6)4-13-11(17)14-7(2)18-5-9(14)10(15)16/h3,7,9H,4-5H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).