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

C13H18N2O3S2 — CID 106005669

IUPAC3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(CNC(=O)N2C(C)SCC2C(=O)O)s1
InChIInChI=1S/C13H18N2O3S2/c1-3-9-4-5-10(20-9)6-14-13(18)15-8(2)19-7-11(15)12(16)17/h4-5,8,11H,3,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPEWQGSCKYZHVNO-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.37
Rot. Bonds4

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

3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 106005669) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID106005669
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Name3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccc(CNC(=O)N2C(C)SCC2C(=O)O)s1
InChIInChI=1S/C13H18N2O3S2/c1-3-9-4-5-10(20-9)6-14-13(18)15-8(2)19-7-11(15)12(16)17/h4-5,8,11H,3,6-7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPEWQGSCKYZHVNO-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780770
2-methyl-3-[(4-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780516
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106374244
(2S,4R)-1-[(5-ethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106005542
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azetidine-3-carboxylic acid
CID 106005643
6-[(5-ethylthiophen-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103822739
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 106005540
3-[(2-methoxyphenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791709
2-methyl-3-[(2-methylpyrimidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780826
3-[(2,5-difluorophenyl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63775639
3-[(4-ethylphenyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780154
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106005646

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 106005669) is 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCc1ccc(CNC(=O)N2C(C)SCC2C(=O)O)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PEWQGSCKYZHVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-3-9-4-5-10(20-9)6-14-13(18)15-8(2)19-7-11(15)12(16)17/h4-5,8,11H,3,6-7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 106005669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).