1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine

C13H16FN3S — CID 43685514

IUPAC1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCC(C)C(NCc1csnn1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3S/c1-9(2)13(10-3-5-11(14)6-4-10)15-7-12-8-18-17-16-12/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeyNYVKGPKDKRUJIO-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine

1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43685514) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43685514
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCC(C)C(NCc1csnn1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3S/c1-9(2)13(10-3-5-11(14)6-4-10)15-7-12-8-18-17-16-12/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeyNYVKGPKDKRUJIO-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(thiadiazol-4-ylmethyl)-2-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 86787817
(3S,4R)-4-(3,4-difluorophenyl)-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 71015547
4-[[(3R)-3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 139302679
4-[[3-(3,4-Difluorophenyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 141523733
4-[1,3-Bis[(4-fluorophenyl)methyl]-1,3-diazinane-1,3-diium-2-yl]thiadiazole
CID 7221582
2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 43663831
N-(thiadiazol-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43663832
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43663850
N-(thiadiazol-4-ylmethyl)-4-(trifluoromethyl)aniline
CID 43663864
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876
[(4-Fluorophenyl)methyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663916

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43685514) is 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine is CC(C)C(NCc1csnn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is NYVKGPKDKRUJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-9(2)13(10-3-5-11(14)6-4-10)15-7-12-8-18-17-16-12/h3-6,8-9,13,15H,7H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43685514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).