N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

C14H16ClFN2OS — CID 114859249

IUPACN-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C)cs1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN2OS/c1-9-8-20-14(18-9)13(17-5-6-19-2)11-7-10(15)3-4-12(11)16/h3-4,7-8,13,17H,5-6H2,1-2H3
InChIKeyYVEANYNOMJNDFJ-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.57
Rot. Bonds6

About N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 114859249) has the molecular formula C14H16ClFN2OS and a molecular weight of 314.81 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID114859249
Molecular FormulaC14H16ClFN2OS
Molecular Weight314.81 g/mol
Exact Mass314.07
IUPAC NameN-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C)cs1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H16ClFN2OS/c1-9-8-20-14(18-9)13(17-5-6-19-2)11-7-10(15)3-4-12(11)16/h3-4,7-8,13,17H,5-6H2,1-2H3
InChIKeyYVEANYNOMJNDFJ-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542109
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542277
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-[(1,5-dimethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 79584469
N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 104816971
N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62543454
N-[(2,5-difluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334813
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 62541039
N-[(2-bromo-5-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66156268
N-[(4-fluoro-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 62121915

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 114859249) is N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1nc(C)cs1)c1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is YVEANYNOMJNDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2OS/c1-9-8-20-14(18-9)13(17-5-6-19-2)11-7-10(15)3-4-12(11)16/h3-4,7-8,13,17H,5-6H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 314.81 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 114859249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).