1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C12H10F3IN2S — CID 106785216

IUPAC1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1ccccc1I
InChIInChI=1S/C12H10F3IN2S/c1-17-10(7-4-2-3-5-8(7)16)9-6-18-11(19-9)12(13,14)15/h2-6,10,17H,1H3
InChIKeyVENMMNXWAFNCNV-UHFFFAOYSA-N
MW398.19 g/mol
LogP4.08
Rot. Bonds3

About 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106785216) has the molecular formula C12H10F3IN2S and a molecular weight of 398.19 g/mol. Its IUPAC name is 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106785216
Molecular FormulaC12H10F3IN2S
Molecular Weight398.19 g/mol
Exact Mass397.96
IUPAC Name1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)c1ccccc1I
InChIInChI=1S/C12H10F3IN2S/c1-17-10(7-4-2-3-5-8(7)16)9-6-18-11(19-9)12(13,14)15/h2-6,10,17H,1H3
InChIKeyVENMMNXWAFNCNV-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
1-(3-chloro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786237
N-methyl-1-(1,3-thiazol-5-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783534
1-(2-bromo-5-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785993
1-(2-bromo-4-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785812
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783493
1-(4-methoxyphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106782941
1-(3,5-dichlorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785809
N-methyl-1-pyrazin-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783069
[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787343
1-(4-bromo-2,6-difluorophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786388
1-(4-chloro-3-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106786395

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106785216) is 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1cnc(C(F)(F)F)s1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VENMMNXWAFNCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3IN2S/c1-17-10(7-4-2-3-5-8(7)16)9-6-18-11(19-9)12(13,14)15/h2-6,10,17H,1H3.
What are the key properties of 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 398.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106785216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).