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

C7H10F2N2OS — CID 106379838

IUPAC4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)C(F)F
InChIInChI=1S/C7H10F2N2OS/c1-4(6(8)9)10-2-5-3-13-7(12)11-5/h3-4,6,10H,2H2,1H3,(H,11,12)
InChIKeyJXORECNTSBGTOQ-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.18
Rot. Bonds4

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

4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379838) has the molecular formula C7H10F2N2OS and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379838
Molecular FormulaC7H10F2N2OS
Molecular Weight208.23 g/mol
Exact Mass208.05
IUPAC Name4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(NCc1csc(=O)[nH]1)C(F)F
InChIInChI=1S/C7H10F2N2OS/c1-4(6(8)9)10-2-5-3-13-7(12)11-5/h3-4,6,10H,2H2,1H3,(H,11,12)
InChIKeyJXORECNTSBGTOQ-UHFFFAOYSA-N
XLogP1.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379838) is 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is CC(NCc1csc(=O)[nH]1)C(F)F.
What is the InChIKey of 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is JXORECNTSBGTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2OS/c1-4(6(8)9)10-2-5-3-13-7(12)11-5/h3-4,6,10H,2H2,1H3,(H,11,12).
What are the key properties of 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 208.23 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-difluoropropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).