N-pentyl-1,3,4-thiadiazol-2-amine

C7H13N3S — CID 12999906

IUPACN-pentyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCNc1nncs1
InChIInChI=1S/C7H13N3S/c1-2-3-4-5-8-7-10-9-6-11-7/h6H,2-5H2,1H3,(H,8,10)
InChIKeyRFQRQMOLVBZMCW-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.14
Rot. Bonds5

About N-pentyl-1,3,4-thiadiazol-2-amine

N-pentyl-1,3,4-thiadiazol-2-amine (PubChem CID 12999906) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-pentyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-pentyl-1,3,4-thiadiazol-2-amine
PubChem CID12999906
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-pentyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCNc1nncs1
InChIInChI=1S/C7H13N3S/c1-2-3-4-5-8-7-10-9-6-11-7/h6H,2-5H2,1H3,(H,8,10)
InChIKeyRFQRQMOLVBZMCW-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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Frequently Asked Questions

What is the IUPAC name of N-pentyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-pentyl-1,3,4-thiadiazol-2-amine (CID 12999906) is N-pentyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-pentyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-pentyl-1,3,4-thiadiazol-2-amine is CCCCCNc1nncs1.
What is the InChIKey of N-pentyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RFQRQMOLVBZMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-2-3-4-5-8-7-10-9-6-11-7/h6H,2-5H2,1H3,(H,8,10).
What are the key properties of N-pentyl-1,3,4-thiadiazol-2-amine?
N-pentyl-1,3,4-thiadiazol-2-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-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 12999906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).