5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine

C7H11F2N3S — CID 115882453

IUPAC5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N)s1)CC(F)F
InChIInChI=1S/C7H11F2N3S/c1-12(4-6(8)9)3-5-2-11-7(10)13-5/h2,6H,3-4H2,1H3,(H2,10,11)
InChIKeyYVCOCDQWGJRMQB-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.42
Rot. Bonds4

About 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine

5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 115882453) has the molecular formula C7H11F2N3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID115882453
Molecular FormulaC7H11F2N3S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N)s1)CC(F)F
InChIInChI=1S/C7H11F2N3S/c1-12(4-6(8)9)3-5-2-11-7(10)13-5/h2,6H,3-4H2,1H3,(H2,10,11)
InChIKeyYVCOCDQWGJRMQB-UHFFFAOYSA-N
XLogP1.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine (CID 115882453) is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine is CN(Cc1cnc(N)s1)CC(F)F.
What is the InChIKey of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is YVCOCDQWGJRMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3S/c1-12(4-6(8)9)3-5-2-11-7(10)13-5/h2,6H,3-4H2,1H3,(H2,10,11).
What are the key properties of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 207.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115882453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).