4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one

C8H12N2O2S — CID 106380089

IUPAC4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCOC2)cs1
InChIInChI=1S/C8H12N2O2S/c11-8-10-7(5-13-8)3-9-6-1-2-12-4-6/h5-6,9H,1-4H2,(H,10,11)
InChIKeyYGXVHFJCQGRIMQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.31
Rot. Bonds3

About 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380089) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380089
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCOC2)cs1
InChIInChI=1S/C8H12N2O2S/c11-8-10-7(5-13-8)3-9-6-1-2-12-4-6/h5-6,9H,1-4H2,(H,10,11)
InChIKeyYGXVHFJCQGRIMQ-UHFFFAOYSA-N
XLogP0.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380089) is 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCOC2)cs1.
What is the InChIKey of 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is YGXVHFJCQGRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-8-10-7(5-13-8)3-9-6-1-2-12-4-6/h5-6,9H,1-4H2,(H,10,11).
What are the key properties of 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 200.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(oxolan-3-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).