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

C13H16FN3S — CID 113400418

IUPACN-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2ccc(F)cc2C)s1
InChIInChI=1S/C13H16FN3S/c1-4-15-9(3)12-16-17-13(18-12)11-6-5-10(14)7-8(11)2/h5-7,9,15H,4H2,1-3H3
InChIKeyQNOZWDKWBLIHJD-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.32
Rot. Bonds4

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

N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 113400418) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID113400418
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2ccc(F)cc2C)s1
InChIInChI=1S/C13H16FN3S/c1-4-15-9(3)12-16-17-13(18-12)11-6-5-10(14)7-8(11)2/h5-7,9,15H,4H2,1-3H3
InChIKeyQNOZWDKWBLIHJD-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104673025
N-[1-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 82818389
1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 79759449
N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104615841
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 107954758
N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81129156
1-[5-(3-bromo-5-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107942021
N-[1-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81488183
N-[[2-(4-fluoro-2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365280

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 113400418) is N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine is CCNC(C)c1nnc(-c2ccc(F)cc2C)s1.
What is the InChIKey of N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is QNOZWDKWBLIHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-4-15-9(3)12-16-17-13(18-12)11-6-5-10(14)7-8(11)2/h5-7,9,15H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 113400418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).