[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride

C6H9ClF2N2S — CID 155943707

IUPAC[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCC(F)(F)c1csc(CN)n1.Cl
InChIInChI=1S/C6H8F2N2S.ClH/c1-6(7,8)4-3-11-5(2-9)10-4;/h3H,2,9H2,1H3;1H
InChIKeyPUYBGTNWRWOLHI-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.14
Rot. Bonds2

About [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride

[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 155943707) has the molecular formula C6H9ClF2N2S and a molecular weight of 214.67 g/mol. Its IUPAC name is [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID155943707
Molecular FormulaC6H9ClF2N2S
Molecular Weight214.67 g/mol
Exact Mass214.01
IUPAC Name[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCC(F)(F)c1csc(CN)n1.Cl
InChIInChI=1S/C6H8F2N2S.ClH/c1-6(7,8)4-3-11-5(2-9)10-4;/h3H,2,9H2,1H3;1H
InChIKeyPUYBGTNWRWOLHI-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 155943707) is [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride is CC(F)(F)c1csc(CN)n1.Cl.
What is the InChIKey of [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is PUYBGTNWRWOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S.ClH/c1-6(7,8)4-3-11-5(2-9)10-4;/h3H,2,9H2,1H3;1H.
What are the key properties of [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride?
[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 214.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 155943707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).