5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H10F2N4S2 — CID 55229365

IUPAC5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2c(N)ccc(F)c2F)s1
InChIInChI=1S/C10H10F2N4S2/c1-16(2)9-14-15-10(18-9)17-8-6(13)4-3-5(11)7(8)12/h3-4H,13H2,1-2H3
InChIKeyDABFIYLKCYLINM-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.62
Rot. Bonds3

About 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 55229365) has the molecular formula C10H10F2N4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID55229365
Molecular FormulaC10H10F2N4S2
Molecular Weight288.35 g/mol
Exact Mass288.03
IUPAC Name5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2c(N)ccc(F)c2F)s1
InChIInChI=1S/C10H10F2N4S2/c1-16(2)9-14-15-10(18-9)17-8-6(13)4-3-5(11)7(8)12/h3-4H,13H2,1-2H3
InChIKeyDABFIYLKCYLINM-UHFFFAOYSA-N
XLogP2.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 55229365) is 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2c(N)ccc(F)c2F)s1.
What is the InChIKey of 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DABFIYLKCYLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4S2/c1-16(2)9-14-15-10(18-9)17-8-6(13)4-3-5(11)7(8)12/h3-4H,13H2,1-2H3.
What are the key properties of 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2,3-difluorophenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 55229365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).