[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride

C10H15ClF3N3OS — CID 120844491

IUPAC[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2cnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C10H14F3N3OS.ClH/c11-10(12,13)9-15-4-8(18-9)6-16-1-2-17-7(3-14)5-16;/h4,7H,1-3,5-6,14H2;1H
InChIKeyREKXNJAZNHBOAT-UHFFFAOYSA-N
MW317.76 g/mol
LogP1.74
Rot. Bonds3

About [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride

[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 120844491) has the molecular formula C10H15ClF3N3OS and a molecular weight of 317.76 g/mol. Its IUPAC name is [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID120844491
Molecular FormulaC10H15ClF3N3OS
Molecular Weight317.76 g/mol
Exact Mass317.06
IUPAC Name[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CN(Cc2cnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C10H14F3N3OS.ClH/c11-10(12,13)9-15-4-8(18-9)6-16-1-2-17-7(3-14)5-16;/h4,7H,1-3,5-6,14H2;1H
InChIKeyREKXNJAZNHBOAT-UHFFFAOYSA-N
XLogP1.74
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride (CID 120844491) is [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride is Cl.NCC1CN(Cc2cnc(C(F)(F)F)s2)CCO1.
What is the InChIKey of [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is REKXNJAZNHBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS.ClH/c11-10(12,13)9-15-4-8(18-9)6-16-1-2-17-7(3-14)5-16;/h4,7H,1-3,5-6,14H2;1H.
What are the key properties of [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 317.76 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120844491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).