2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H21N3O3S — CID 63781288

IUPAC2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)N(C)C1CCNCC1
InChIInChI=1S/C12H21N3O3S/c1-8-15(10(7-19-8)11(16)17)12(18)14(2)9-3-5-13-6-4-9/h8-10,13H,3-7H2,1-2H3,(H,16,17)
InChIKeyKKIZSQHDJKQQRO-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.64
Rot. Bonds2

About 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781288) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781288
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)N(C)C1CCNCC1
InChIInChI=1S/C12H21N3O3S/c1-8-15(10(7-19-8)11(16)17)12(18)14(2)9-3-5-13-6-4-9/h8-10,13H,3-7H2,1-2H3,(H,16,17)
InChIKeyKKIZSQHDJKQQRO-UHFFFAOYSA-N
XLogP0.64
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[methyl-(3-methylcyclohexyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780755
3-[2-hydroxyethyl(methyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779853
2-ethyl-3-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781994
3-[bis(prop-2-enyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63790659
3-[cyclohexyl(methyl)carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63780503
2-methyl-3-(2-piperazin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792161
3-[cyclohexyl(2-hydroxyethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779368
3-[cyclohexyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780501
2-methyl-3-(3-piperidin-4-yloxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63903192
2-methyl-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781954
3-[cyclopropylmethyl(ethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63956666
3-[butan-2-yl(ethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63781248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 63781288) is 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)N(C)C1CCNCC1.
What is the InChIKey of 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KKIZSQHDJKQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8-15(10(7-19-8)11(16)17)12(18)14(2)9-3-5-13-6-4-9/h8-10,13H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.38 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(piperidin-4-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).