N-pentyl-1,2,4-thiadiazol-5-amine

C7H13N3S — CID 65271368

IUPACN-pentyl-1,2,4-thiadiazol-5-amine
SMILESCCCCCNc1ncns1
InChIInChI=1S/C7H13N3S/c1-2-3-4-5-8-7-9-6-10-11-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyHYKWPQCKIPMQHW-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.14
Rot. Bonds5

About N-pentyl-1,2,4-thiadiazol-5-amine

N-pentyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271368) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-pentyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-pentyl-1,2,4-thiadiazol-5-amine
PubChem CID65271368
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-pentyl-1,2,4-thiadiazol-5-amine
SMILESCCCCCNc1ncns1
InChIInChI=1S/C7H13N3S/c1-2-3-4-5-8-7-9-6-10-11-7/h6H,2-5H2,1H3,(H,8,9,10)
InChIKeyHYKWPQCKIPMQHW-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.14
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
N-piperidin-4-yl-1,2,4-thiadiazol-5-amine
CID 65276253
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
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
N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 130592971
N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 130616600
N-(3-fluorocyclopentyl)-1,2,4-thiadiazol-5-amine
CID 130742298
N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 130831786
N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 131101669

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-pentyl-1,2,4-thiadiazol-5-amine (CID 65271368) is N-pentyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-pentyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-pentyl-1,2,4-thiadiazol-5-amine is CCCCCNc1ncns1.
What is the InChIKey of N-pentyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HYKWPQCKIPMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-2-3-4-5-8-7-9-6-10-11-7/h6H,2-5H2,1H3,(H,8,9,10).
What are the key properties of N-pentyl-1,2,4-thiadiazol-5-amine?
N-pentyl-1,2,4-thiadiazol-5-amine has a molecular weight of 171.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).