5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C16H21ClFN3OS — CID 120905156

IUPAC5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)C1CCOC(c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C16H20FN3OS.ClH/c1-20(10-14-9-19-16(18)22-14)13-6-7-21-15(8-13)11-2-4-12(17)5-3-11;/h2-5,9,13,15H,6-8,10H2,1H3,(H2,18,19);1H
InChIKeyGMHLVVFAXVFBKD-UHFFFAOYSA-N
MW357.88 g/mol
LogP3.64
Rot. Bonds4

About 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120905156) has the molecular formula C16H21ClFN3OS and a molecular weight of 357.88 g/mol. Its IUPAC name is 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120905156
Molecular FormulaC16H21ClFN3OS
Molecular Weight357.88 g/mol
Exact Mass357.11
IUPAC Name5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)C1CCOC(c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C16H20FN3OS.ClH/c1-20(10-14-9-19-16(18)22-14)13-6-7-21-15(8-13)11-2-4-12(17)5-3-11;/h2-5,9,13,15H,6-8,10H2,1H3,(H2,18,19);1H
InChIKeyGMHLVVFAXVFBKD-UHFFFAOYSA-N
XLogP3.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120905156) is 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1cnc(N)s1)C1CCOC(c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is GMHLVVFAXVFBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3OS.ClH/c1-20(10-14-9-19-16(18)22-14)13-6-7-21-15(8-13)11-2-4-12(17)5-3-11;/h2-5,9,13,15H,6-8,10H2,1H3,(H2,18,19);1H.
What are the key properties of 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120905156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).