3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C12H15FN4S — CID 71845286

IUPAC3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(NCc2nsc(N(C)C)n2)c(F)c1
InChIInChI=1S/C12H15FN4S/c1-8-4-5-10(9(13)6-8)14-7-11-15-12(17(2)3)18-16-11/h4-6,14H,7H2,1-3H3
InChIKeyZAFOIQCDHNHTEX-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.66
Rot. Bonds4

About 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 71845286) has the molecular formula C12H15FN4S and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID71845286
Molecular FormulaC12H15FN4S
Molecular Weight266.35 g/mol
Exact Mass266.10
IUPAC Name3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(NCc2nsc(N(C)C)n2)c(F)c1
InChIInChI=1S/C12H15FN4S/c1-8-4-5-10(9(13)6-8)14-7-11-15-12(17(2)3)18-16-11/h4-6,14H,7H2,1-3H3
InChIKeyZAFOIQCDHNHTEX-UHFFFAOYSA-N
XLogP2.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 71845286) is 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is Cc1ccc(NCc2nsc(N(C)C)n2)c(F)c1.
What is the InChIKey of 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZAFOIQCDHNHTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-8-4-5-10(9(13)6-8)14-7-11-15-12(17(2)3)18-16-11/h4-6,14H,7H2,1-3H3.
What are the key properties of 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 266.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-methylanilino)methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71845286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).