5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H15FN4S2 — CID 63738884

IUPAC5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC(CN)c2ccc(F)cc2)s1
InChIInChI=1S/C12H15FN4S2/c1-17(2)11-15-16-12(19-11)18-10(7-14)8-3-5-9(13)6-4-8/h3-6,10H,7,14H2,1-2H3
InChIKeySWOHCDZEKZWMKJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.54
Rot. Bonds5

About 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738884) has the molecular formula C12H15FN4S2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63738884
Molecular FormulaC12H15FN4S2
Molecular Weight298.41 g/mol
Exact Mass298.07
IUPAC Name5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC(CN)c2ccc(F)cc2)s1
InChIInChI=1S/C12H15FN4S2/c1-17(2)11-15-16-12(19-11)18-10(7-14)8-3-5-9(13)6-4-8/h3-6,10H,7,14H2,1-2H3
InChIKeySWOHCDZEKZWMKJ-UHFFFAOYSA-N
XLogP2.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-amino-1-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241820
5-[1-amino-1-(4-fluorophenyl)propan-2-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 107524213
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738353
5-[1-(4-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737460
2-(4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253274
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one
CID 63737311
5-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55243373
[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-fluorophenyl]methanol
CID 63814008
5-(2-amino-1-pyridin-2-ylpropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241439
1-(3,4-difluorophenyl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 86787875
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63738884) is 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SC(CN)c2ccc(F)cc2)s1.
What is the InChIKey of 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SWOHCDZEKZWMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S2/c1-17(2)11-15-16-12(19-11)18-10(7-14)8-3-5-9(13)6-4-8/h3-6,10H,7,14H2,1-2H3.
What are the key properties of 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 298.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-(4-fluorophenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).