[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine

C7H10F2N2S — CID 83853620

IUPAC[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1C(C)(F)F
InChIInChI=1S/C7H10F2N2S/c1-4-6(7(2,8)9)12-5(3-10)11-4/h3,10H2,1-2H3
InChIKeyOBNUVRJHDJHLGH-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.02
Rot. Bonds2

About [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine

[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 83853620) has the molecular formula C7H10F2N2S and a molecular weight of 192.23 g/mol. Its IUPAC name is [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID83853620
Molecular FormulaC7H10F2N2S
Molecular Weight192.23 g/mol
Exact Mass192.05
IUPAC Name[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1C(C)(F)F
InChIInChI=1S/C7H10F2N2S/c1-4-6(7(2,8)9)12-5(3-10)11-4/h3,10H2,1-2H3
InChIKeyOBNUVRJHDJHLGH-UHFFFAOYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine (CID 83853620) is [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1C(C)(F)F.
What is the InChIKey of [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is OBNUVRJHDJHLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2S/c1-4-6(7(2,8)9)12-5(3-10)11-4/h3,10H2,1-2H3.
What are the key properties of [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 192.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 83853620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).