5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine

C11H12FN3S — CID 6490994

IUPAC5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C11H12FN3S/c1-2-6-13-11-15-14-10(16-11)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,15)
InChIKeyVMHCBTVRHKUTHJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.17
Rot. Bonds4

About 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 6490994) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID6490994
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C11H12FN3S/c1-2-6-13-11-15-14-10(16-11)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,15)
InChIKeyVMHCBTVRHKUTHJ-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 6490994) is 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VMHCBTVRHKUTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-2-6-13-11-15-14-10(16-11)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,15).
What are the key properties of 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 237.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6490994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).