N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine

C13H14ClFN2S — CID 104879334

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(CNCc2ncc(Cl)s2)cc(C)c1F
InChIInChI=1S/C13H14ClFN2S/c1-8-3-10(4-9(2)13(8)15)5-16-7-12-17-6-11(14)18-12/h3-4,6,16H,5,7H2,1-2H3
InChIKeySGYJYWAJUINXIZ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.84
Rot. Bonds4

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine (PubChem CID 104879334) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
PubChem CID104879334
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(CNCc2ncc(Cl)s2)cc(C)c1F
InChIInChI=1S/C13H14ClFN2S/c1-8-3-10(4-9(2)13(8)15)5-16-7-12-17-6-11(14)18-12/h3-4,6,16H,5,7H2,1-2H3
InChIKeySGYJYWAJUINXIZ-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 84590770
(1R)-1-(4-bromophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
CID 121532865
5-chloro-2-[3-(4-fluorophenyl)-4,5-dihydro-3H-pyrazol-4-yl]-1,3-thiazole
CID 53701833
N-[(4-fluorophenyl)methyl]-1,3-thiazol-5-amine
CID 91208899
1-[4-fluoro-3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]phenyl]-N-methylmethanamine
CID 139564086
N-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-2-yl)propan-1-amine
CID 157978082
1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
1-(2-chloro-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 42656310
(2-Fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558939
(2-Chloro-6-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558976
(5-Methyl-1,3-thiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43558984
(4-Fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558991

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine (CID 104879334) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine is Cc1cc(CNCc2ncc(Cl)s2)cc(C)c1F.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine?
The InChIKey is SGYJYWAJUINXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-8-3-10(4-9(2)13(8)15)5-16-7-12-17-6-11(14)18-12/h3-4,6,16H,5,7H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine has a molecular weight of 284.79 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 104879334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).