N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C12H14FN3OS — CID 102885658

IUPACN-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2ccc(OC)cc2F)s1
InChIInChI=1S/C12H14FN3OS/c1-3-14-7-11-15-16-12(18-11)9-5-4-8(17-2)6-10(9)13/h4-6,14H,3,7H2,1-2H3
InChIKeyFWYDJTLTKZUQNR-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.46
Rot. Bonds5

About N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 102885658) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID102885658
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC NameN-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2ccc(OC)cc2F)s1
InChIInChI=1S/C12H14FN3OS/c1-3-14-7-11-15-16-12(18-11)9-5-4-8(17-2)6-10(9)13/h4-6,14H,3,7H2,1-2H3
InChIKeyFWYDJTLTKZUQNR-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 102885665
N-[[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114364975
N-[[5-(3,5-dimethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624392
N-[[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 104673007
N-[[5-(2-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 81117037
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 81304184
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 81303969
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 81305150

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 102885658) is N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(-c2ccc(OC)cc2F)s1.
What is the InChIKey of N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is FWYDJTLTKZUQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-3-14-7-11-15-16-12(18-11)9-5-4-8(17-2)6-10(9)13/h4-6,14H,3,7H2,1-2H3.
What are the key properties of N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 102885658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).