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

C12H15FN4OS2 — CID 63737456

IUPAC5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCOc1cc(Sc2nnc(N(C)C)s2)c(N)cc1F
InChIInChI=1S/C12H15FN4OS2/c1-4-18-9-6-10(8(14)5-7(9)13)19-12-16-15-11(20-12)17(2)3/h5-6H,4,14H2,1-3H3
InChIKeyUDAOVPDARSOICF-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.88
Rot. Bonds5

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

5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737456) has the molecular formula C12H15FN4OS2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737456
Molecular FormulaC12H15FN4OS2
Molecular Weight314.41 g/mol
Exact Mass314.07
IUPAC Name5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCOc1cc(Sc2nnc(N(C)C)s2)c(N)cc1F
InChIInChI=1S/C12H15FN4OS2/c1-4-18-9-6-10(8(14)5-7(9)13)19-12-16-15-11(20-12)17(2)3/h5-6H,4,14H2,1-3H3
InChIKeyUDAOVPDARSOICF-UHFFFAOYSA-N
XLogP2.88
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-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

2-(2-amino-5-ethoxy-4-fluorophenyl)sulfanylpyrimidine-4,6-diamine
CID 63594148
4-ethoxy-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
CID 63594501
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
2-(3,4-difluorophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 63593255
2-(2-bromophenyl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 55217243
5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738353
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline
CID 63593075
(1R)-1-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-fluorophenyl]ethanol
CID 63814167
5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
CID 81440111
5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738689
2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
5-(4-aminophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737803

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737456) is 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCOc1cc(Sc2nnc(N(C)C)s2)c(N)cc1F.
What is the InChIKey of 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UDAOVPDARSOICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4OS2/c1-4-18-9-6-10(8(14)5-7(9)13)19-12-16-15-11(20-12)17(2)3/h5-6H,4,14H2,1-3H3.
What are the key properties of 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 314.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-ethoxy-4-fluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).