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

C6H8F2N2OS — CID 106380934

IUPAC4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(F)F)cs1
InChIInChI=1S/C6H8F2N2OS/c7-5(8)2-9-1-4-3-12-6(11)10-4/h3,5,9H,1-2H2,(H,10,11)
InChIKeyBQVWAQGSLKYKCQ-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.79
Rot. Bonds4

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

4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380934) has the molecular formula C6H8F2N2OS and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380934
Molecular FormulaC6H8F2N2OS
Molecular Weight194.21 g/mol
Exact Mass194.03
IUPAC Name4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(F)F)cs1
InChIInChI=1S/C6H8F2N2OS/c7-5(8)2-9-1-4-3-12-6(11)10-4/h3,5,9H,1-2H2,(H,10,11)
InChIKeyBQVWAQGSLKYKCQ-UHFFFAOYSA-N
XLogP0.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380934) is 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(F)F)cs1.
What is the InChIKey of 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BQVWAQGSLKYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2OS/c7-5(8)2-9-1-4-3-12-6(11)10-4/h3,5,9H,1-2H2,(H,10,11).
What are the key properties of 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 194.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoroethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).