[2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine

C5H6F2N2S — CID 84764773

IUPAC[2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(C(F)F)s1
InChIInChI=1S/C5H6F2N2S/c6-4(7)5-9-2-3(1-8)10-5/h2,4H,1,8H2
InChIKeyVDHMXMCQEZVJFM-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.54
Rot. Bonds2

About [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine

[2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 84764773) has the molecular formula C5H6F2N2S and a molecular weight of 164.18 g/mol. Its IUPAC name is [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID84764773
Molecular FormulaC5H6F2N2S
Molecular Weight164.18 g/mol
Exact Mass164.02
IUPAC Name[2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(C(F)F)s1
InChIInChI=1S/C5H6F2N2S/c6-4(7)5-9-2-3(1-8)10-5/h2,4H,1,8H2
InChIKeyVDHMXMCQEZVJFM-UHFFFAOYSA-N
XLogP1.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 84764773) is [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(C(F)F)s1.
What is the InChIKey of [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VDHMXMCQEZVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2S/c6-4(7)5-9-2-3(1-8)10-5/h2,4H,1,8H2.
What are the key properties of [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine?
[2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 164.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 84764773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).