(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H16N2O4S — CID 61197717

IUPAC(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(CN(C)C(=O)N2CSC[C@H]2C(=O)O)o1
InChIInChI=1S/C12H16N2O4S/c1-8-3-4-9(18-8)5-13(2)12(17)14-7-19-6-10(14)11(15)16/h3-4,10H,5-7H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyRLEHUCRMDVOGRH-JTQLQIEISA-N
MW284.34 g/mol
LogP1.60
Rot. Bonds3

About (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61197717) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61197717
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(CN(C)C(=O)N2CSC[C@H]2C(=O)O)o1
InChIInChI=1S/C12H16N2O4S/c1-8-3-4-9(18-8)5-13(2)12(17)14-7-19-6-10(14)11(15)16/h3-4,10H,5-7H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyRLEHUCRMDVOGRH-JTQLQIEISA-N
XLogP1.60
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[furan-2-ylmethyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198091
1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197519
3-[(4-chlorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61415002
(4R)-3-[(3-fluorophenyl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200290
3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61420877
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
CID 61196959
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618420
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
4-[(5-methylfuran-2-yl)methyl]thiomorpholine-3-carboxylic acid
CID 82906613
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944233
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61197717) is (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ccc(CN(C)C(=O)N2CSC[C@H]2C(=O)O)o1.
What is the InChIKey of (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RLEHUCRMDVOGRH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8-3-4-9(18-8)5-13(2)12(17)14-7-19-6-10(14)11(15)16/h3-4,10H,5-7H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61197717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).