4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one

C7H9N3O2S — CID 130863641

IUPAC4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one
SMILESO=C1NOCC1NCc1cscn1
InChIInChI=1S/C7H9N3O2S/c11-7-6(2-12-10-7)8-1-5-3-13-4-9-5/h3-4,6,8H,1-2H2,(H,10,11)
InChIKeyWZMDINRVCACVGM-UHFFFAOYSA-N
MW199.23 g/mol
LogP-0.34
Rot. Bonds3

About 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one

4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one (PubChem CID 130863641) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one
PubChem CID130863641
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one
SMILESO=C1NOCC1NCc1cscn1
InChIInChI=1S/C7H9N3O2S/c11-7-6(2-12-10-7)8-1-5-3-13-4-9-5/h3-4,6,8H,1-2H2,(H,10,11)
InChIKeyWZMDINRVCACVGM-UHFFFAOYSA-N
XLogP-0.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-Dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
CID 19987501
2-(1,3-Thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
CID 19987513
6-(Methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one
CID 20590211
2-(1,3-Thiazol-4-ylmethylamino)propanamide
CID 60767070
2-(1,3-Thiazol-4-ylmethylamino)acetamide
CID 60695766
N-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 63825882
N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide
CID 65518697
N-methyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide
CID 65520487
2-(2-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
CID 79524012
2-(1-aminoethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
CID 79524094
2-(aminomethyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,3-thiazole-4-carboxamide
CID 79524099
2-amino-3-methoxy-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 81088021

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one?
The IUPAC name of 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one (CID 130863641) is 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one is O=C1NOCC1NCc1cscn1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one?
The InChIKey is WZMDINRVCACVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c11-7-6(2-12-10-7)8-1-5-3-13-4-9-5/h3-4,6,8H,1-2H2,(H,10,11).
What are the key properties of 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one?
4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one has a molecular weight of 199.23 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethylamino)-1,2-oxazolidin-3-one is sourced from PubChem (CID 130863641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).