5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C10H16ClF2N3S — CID 120903924

IUPAC5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1CCN(Cc2cnc(N)s2)CC1(F)F.Cl
InChIInChI=1S/C10H15F2N3S.ClH/c1-7-2-3-15(6-10(7,11)12)5-8-4-14-9(13)16-8;/h4,7H,2-3,5-6H2,1H3,(H2,13,14);1H
InChIKeyKYSWQAPYCGQFFS-UHFFFAOYSA-N
MW283.77 g/mol
LogP2.62
Rot. Bonds2

About 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903924) has the molecular formula C10H16ClF2N3S and a molecular weight of 283.77 g/mol. Its IUPAC name is 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903924
Molecular FormulaC10H16ClF2N3S
Molecular Weight283.77 g/mol
Exact Mass283.07
IUPAC Name5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1CCN(Cc2cnc(N)s2)CC1(F)F.Cl
InChIInChI=1S/C10H15F2N3S.ClH/c1-7-2-3-15(6-10(7,11)12)5-8-4-14-9(13)16-8;/h4,7H,2-3,5-6H2,1H3,(H2,13,14);1H
InChIKeyKYSWQAPYCGQFFS-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903924) is 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC1CCN(Cc2cnc(N)s2)CC1(F)F.Cl.
What is the InChIKey of 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is KYSWQAPYCGQFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3S.ClH/c1-7-2-3-15(6-10(7,11)12)5-8-4-14-9(13)16-8;/h4,7H,2-3,5-6H2,1H3,(H2,13,14);1H.
What are the key properties of 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 283.77 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).