N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine

C12H14FN3S — CID 105087955

IUPACN-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1csnn1
InChIInChI=1S/C12H14FN3S/c1-2-7-14-12(11-8-17-16-15-11)9-3-5-10(13)6-4-9/h3-6,8,12,14H,2,7H2,1H3
InChIKeyTWQKUHLUTAHNPV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine

N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine (PubChem CID 105087955) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
PubChem CID105087955
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC NameN-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)c1csnn1
InChIInChI=1S/C12H14FN3S/c1-2-7-14-12(11-8-17-16-15-11)9-3-5-10(13)6-4-9/h3-6,8,12,14H,2,7H2,1H3
InChIKeyTWQKUHLUTAHNPV-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105142581
N-[(4-methoxyphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105095117
N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105141634
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(5-fluoro-1-benzofuran-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105185786
N-[thiadiazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141421
N-[quinolin-6-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105172339
N-[(4-tert-butylthiadiazol-5-yl)-(4-fluorophenyl)methyl]propan-1-amine
CID 105088130
N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585
N-[(3,4-dichlorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494689
N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 65216299
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine (CID 105087955) is N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)c1csnn1.
What is the InChIKey of N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The InChIKey is TWQKUHLUTAHNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-2-7-14-12(11-8-17-16-15-11)9-3-5-10(13)6-4-9/h3-6,8,12,14H,2,7H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine?
N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105087955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).