N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine

C6H10FN3S — CID 130592971

IUPACN-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
SMILESFCCCCNc1ncns1
InChIInChI=1S/C6H10FN3S/c7-3-1-2-4-8-6-9-5-10-11-6/h5H,1-4H2,(H,8,9,10)
InChIKeyRMBXZZJPXHQRKT-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.70
Rot. Bonds5

About N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine

N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 130592971) has the molecular formula C6H10FN3S and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
PubChem CID130592971
Molecular FormulaC6H10FN3S
Molecular Weight175.23 g/mol
Exact Mass175.06
IUPAC NameN-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
SMILESFCCCCNc1ncns1
InChIInChI=1S/C6H10FN3S/c7-3-1-2-4-8-6-9-5-10-11-6/h5H,1-4H2,(H,8,9,10)
InChIKeyRMBXZZJPXHQRKT-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-butyl-1,2,4-thiadiazole-3,5-diamine
CID 2803931
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271024
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106294323
2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 114384378
N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 115407615
N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 115520544
N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
CID 115520652
5-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazole-3,5-diamine
CID 115522982

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine (CID 130592971) is N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine is FCCCCNc1ncns1.
What is the InChIKey of N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RMBXZZJPXHQRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3S/c7-3-1-2-4-8-6-9-5-10-11-6/h5H,1-4H2,(H,8,9,10).
What are the key properties of N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine?
N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130592971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).