(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C6H8N2O3S — CID 7188358

IUPAC(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)NC1=N[C@@H](C(=O)O)CS1
InChIInChI=1S/C6H8N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h4H,2H2,1H3,(H,10,11)(H,7,8,9)/t4-/m1/s1
InChIKeyNORZXAUEMHJPND-SCSAIBSYSA-N
MW188.21 g/mol
LogP-0.32
Rot. Bonds1

About (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 7188358) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID7188358
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)NC1=N[C@@H](C(=O)O)CS1
InChIInChI=1S/C6H8N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h4H,2H2,1H3,(H,10,11)(H,7,8,9)/t4-/m1/s1
InChIKeyNORZXAUEMHJPND-SCSAIBSYSA-N
XLogP-0.32
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 7188358) is (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid is CC(=O)NC1=N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is NORZXAUEMHJPND-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h4H,2H2,1H3,(H,10,11)(H,7,8,9)/t4-/m1/s1.
What are the key properties of (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 188.21 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 7188358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).