N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine

C13H15FN4S — CID 104786721

IUPACN-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
SMILESFc1cncc(-c2nnc(CCCNC3CC3)s2)c1
InChIInChI=1S/C13H15FN4S/c14-10-6-9(7-15-8-10)13-18-17-12(19-13)2-1-5-16-11-3-4-11/h6-8,11,16H,1-5H2
InChIKeyMKEUMSPAXQJNCR-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.42
Rot. Bonds6

About N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine

N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 104786721) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
PubChem CID104786721
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC NameN-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
SMILESFc1cncc(-c2nnc(CCCNC3CC3)s2)c1
InChIInChI=1S/C13H15FN4S/c14-10-6-9(7-15-8-10)13-18-17-12(19-13)2-1-5-16-11-3-4-11/h6-8,11,16H,1-5H2
InChIKeyMKEUMSPAXQJNCR-UHFFFAOYSA-N
XLogP2.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 104786719
5-[5-[3-(cyclopropylamino)propyl]-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 107707177
4-[5-[3-(cyclopropylamino)propyl]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 136885721
N-[3-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 79206259
N-[3-[5-(4-methylthiophen-3-yl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 79819466
N-[2-[5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
CID 107995167
N-[3-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 114376162
N-[3-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine
CID 83151255
N-[[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82878882
N-[3-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]propyl]-N'-cyclohexylpropane-1,3-diamine
CID 135231942
N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
CID 62664626
N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 114823813

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine (CID 104786721) is N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine is Fc1cncc(-c2nnc(CCCNC3CC3)s2)c1.
What is the InChIKey of N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is MKEUMSPAXQJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S/c14-10-6-9(7-15-8-10)13-18-17-12(19-13)2-1-5-16-11-3-4-11/h6-8,11,16H,1-5H2.
What are the key properties of N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 278.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(5-fluoro-3-pyridinyl)-1,3,4-thiadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 104786721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).