5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine

C11H13FN4S — CID 80606318

IUPAC5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)Cc1nnc(N)s1
InChIInChI=1S/C11H13FN4S/c1-16(7-10-14-15-11(13)17-10)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H2,13,15)
InChIKeyDPDZKNHOQLRGPF-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.89
Rot. Bonds4

About 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine

5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606318) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606318
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC Name5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)Cc1nnc(N)s1
InChIInChI=1S/C11H13FN4S/c1-16(7-10-14-15-11(13)17-10)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H2,13,15)
InChIKeyDPDZKNHOQLRGPF-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine (CID 80606318) is 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine is CN(Cc1ccc(F)cc1)Cc1nnc(N)s1.
What is the InChIKey of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DPDZKNHOQLRGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-16(7-10-14-15-11(13)17-10)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H2,13,15).
What are the key properties of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 252.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).