2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide

C9H12N4O3S — CID 79524094

IUPAC2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N[C@@H]2CONC2=O)cs1
InChIInChI=1S/C9H12N4O3S/c1-4(10)9-12-6(3-17-9)7(14)11-5-2-16-13-8(5)15/h3-5H,2,10H2,1H3,(H,11,14)(H,13,15)/t4?,5-/m1/s1
InChIKeyPHNRPQMACXWBAW-BRJRFNKRSA-N
MW256.29 g/mol
LogP-0.68
Rot. Bonds3

About 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 79524094) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID79524094
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N[C@@H]2CONC2=O)cs1
InChIInChI=1S/C9H12N4O3S/c1-4(10)9-12-6(3-17-9)7(14)11-5-2-16-13-8(5)15/h3-5H,2,10H2,1H3,(H,11,14)(H,13,15)/t4?,5-/m1/s1
InChIKeyPHNRPQMACXWBAW-BRJRFNKRSA-N
XLogP-0.68
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide (CID 79524094) is 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N[C@@H]2CONC2=O)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PHNRPQMACXWBAW-BRJRFNKRSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-4(10)9-12-6(3-17-9)7(14)11-5-2-16-13-8(5)15/h3-5H,2,10H2,1H3,(H,11,14)(H,13,15)/t4?,5-/m1/s1.
What are the key properties of 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 256.29 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 79524094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).