5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride

C10H9ClF2N2S — CID 122156846

IUPAC5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cc2c(F)cccc2F)s1
InChIInChI=1S/C10H8F2N2S.ClH/c11-8-2-1-3-9(12)7(8)4-6-5-14-10(13)15-6;/h1-3,5H,4H2,(H2,13,14);1H
InChIKeyWMSKIEKULWWYMW-UHFFFAOYSA-N
MW262.71 g/mol
LogP3.02
Rot. Bonds2

About 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 122156846) has the molecular formula C10H9ClF2N2S and a molecular weight of 262.71 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID122156846
Molecular FormulaC10H9ClF2N2S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(Cc2c(F)cccc2F)s1
InChIInChI=1S/C10H8F2N2S.ClH/c11-8-2-1-3-9(12)7(8)4-6-5-14-10(13)15-6;/h1-3,5H,4H2,(H2,13,14);1H
InChIKeyWMSKIEKULWWYMW-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 122156846) is 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(Cc2c(F)cccc2F)s1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is WMSKIEKULWWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S.ClH/c11-8-2-1-3-9(12)7(8)4-6-5-14-10(13)15-6;/h1-3,5H,4H2,(H2,13,14);1H.
What are the key properties of 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 262.71 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 122156846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).