N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine

C13H16FN3S — CID 65209185

IUPACN-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1snnc1-c1cccc(F)c1
InChIInChI=1S/C13H16FN3S/c1-13(2,3)15-8-11-12(16-17-18-11)9-5-4-6-10(14)7-9/h4-7,15H,8H2,1-3H3
InChIKeyVZNHWSZMBWLRNZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.23
Rot. Bonds3

About N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65209185) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID65209185
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1snnc1-c1cccc(F)c1
InChIInChI=1S/C13H16FN3S/c1-13(2,3)15-8-11-12(16-17-18-11)9-5-4-6-10(14)7-9/h4-7,15H,8H2,1-3H3
InChIKeyVZNHWSZMBWLRNZ-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-{[2-(4-Fluorophenyl)-1-pyrrolidinyl]methyl}-4-isopropyl-1,2,3-thiadiazole
CID 56882428
N-[(4-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57031214
N-[(2-fluorophenyl)methyl]-4-methylthiadiazole-5-carbothioamide
CID 57131893
2-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]propan-2-amine
CID 57659806
4-(4-Fluorophenyl)-5-methyl-1,2,3-thiadiazole
CID 69206034
N-(4,4-difluorobut-3-enyl)-5-phenylthiadiazole-4-carbothioamide
CID 139818235
4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
CID 174509471
2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876
1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663961
1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664052
2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664156

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 65209185) is N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1snnc1-c1cccc(F)c1.
What is the InChIKey of N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VZNHWSZMBWLRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-13(2,3)15-8-11-12(16-17-18-11)9-5-4-6-10(14)7-9/h4-7,15H,8H2,1-3H3.
What are the key properties of N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65209185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).