N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine

C13H16FN3S — CID 106883667

IUPACN-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cnns1)c1c(C)cc(C)cc1F
InChIInChI=1S/C13H16FN3S/c1-4-15-13(11-7-16-17-18-11)12-9(3)5-8(2)6-10(12)14/h5-7,13,15H,4H2,1-3H3
InChIKeyBICHAXLHWQAILF-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.99
Rot. Bonds4

About N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine

N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine (PubChem CID 106883667) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
PubChem CID106883667
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cnns1)c1c(C)cc(C)cc1F
InChIInChI=1S/C13H16FN3S/c1-4-15-13(11-7-16-17-18-11)12-9(3)5-8(2)6-10(12)14/h5-7,13,15H,4H2,1-3H3
InChIKeyBICHAXLHWQAILF-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 106883650
(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methanamine
CID 106883927
N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106883536
N-[(2,6-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881773
N-[(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881521
N-[(5-chloro-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106882073
N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106881613
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106682307
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144822

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine (CID 106883667) is N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine is CCNC(c1cnns1)c1c(C)cc(C)cc1F.
What is the InChIKey of N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The InChIKey is BICHAXLHWQAILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-4-15-13(11-7-16-17-18-11)12-9(3)5-8(2)6-10(12)14/h5-7,13,15H,4H2,1-3H3.
What are the key properties of N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 106883667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).