5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C11H15ClF3N5S — CID 120901825

IUPAC5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)Cc1cn(C)nc1C(F)(F)F.Cl
InChIInChI=1S/C11H14F3N5S.ClH/c1-18(6-8-3-16-10(15)20-8)4-7-5-19(2)17-9(7)11(12,13)14;/h3,5H,4,6H2,1-2H3,(H2,15,16);1H
InChIKeyXHMXWWKBADIWAO-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.53
Rot. Bonds4

About 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901825) has the molecular formula C11H15ClF3N5S and a molecular weight of 341.79 g/mol. Its IUPAC name is 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901825
Molecular FormulaC11H15ClF3N5S
Molecular Weight341.79 g/mol
Exact Mass341.07
IUPAC Name5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)Cc1cn(C)nc1C(F)(F)F.Cl
InChIInChI=1S/C11H14F3N5S.ClH/c1-18(6-8-3-16-10(15)20-8)4-7-5-19(2)17-9(7)11(12,13)14;/h3,5H,4,6H2,1-2H3,(H2,15,16);1H
InChIKeyXHMXWWKBADIWAO-UHFFFAOYSA-N
XLogP2.53
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901825) is 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1cnc(N)s1)Cc1cn(C)nc1C(F)(F)F.Cl.
What is the InChIKey of 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is XHMXWWKBADIWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5S.ClH/c1-18(6-8-3-16-10(15)20-8)4-7-5-19(2)17-9(7)11(12,13)14;/h3,5H,4,6H2,1-2H3,(H2,15,16);1H.
What are the key properties of 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 341.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).