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

C6H7N2O3S- — CID 7188357

IUPAC(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
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)/p-1/t4-/m1/s1
InChIKeyNORZXAUEMHJPND-SCSAIBSYSA-M
MW187.20 g/mol
LogP-1.66
Rot. Bonds1

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

(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 7188357) has the molecular formula C6H7N2O3S- and a molecular weight of 187.20 g/mol. Its IUPAC name is (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID7188357
Molecular FormulaC6H7N2O3S-
Molecular Weight187.20 g/mol
Exact Mass187.02
IUPAC Name(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate
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)/p-1/t4-/m1/s1
InChIKeyNORZXAUEMHJPND-SCSAIBSYSA-M
XLogP-1.66
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 7188357) is (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate 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-carboxylate?
The InChIKey is NORZXAUEMHJPND-SCSAIBSYSA-M. 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)/p-1/t4-/m1/s1.
What are the key properties of (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate?
(4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 187.20 g/mol, XLogP of -1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 7188357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).