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

C12H15ClFN3S — CID 120897486

IUPAC5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1ccc(F)cc1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H14FN3S.ClH/c1-16(8-11-6-15-12(14)17-11)7-9-2-4-10(13)5-3-9;/h2-6H,7-8H2,1H3,(H2,14,15);1H
InChIKeyQNURXRLKDQNLJE-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.92
Rot. Bonds4

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

5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897486) has the molecular formula C12H15ClFN3S and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897486
Molecular FormulaC12H15ClFN3S
Molecular Weight287.79 g/mol
Exact Mass287.07
IUPAC Name5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1ccc(F)cc1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H14FN3S.ClH/c1-16(8-11-6-15-12(14)17-11)7-9-2-4-10(13)5-3-9;/h2-6H,7-8H2,1H3,(H2,14,15);1H
InChIKeyQNURXRLKDQNLJE-UHFFFAOYSA-N
XLogP2.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898326
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903914
5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900901
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 79765216
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771928
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900861
5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120897457
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606318
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897486) is 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1ccc(F)cc1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is QNURXRLKDQNLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S.ClH/c1-16(8-11-6-15-12(14)17-11)7-9-2-4-10(13)5-3-9;/h2-6H,7-8H2,1H3,(H2,14,15);1H.
What are the key properties of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).