N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C11H14N4S — CID 139033765

IUPACN-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCCNc1nnc(-c2ccccn2)s1
InChIInChI=1S/C11H14N4S/c1-2-3-7-13-11-15-14-10(16-11)9-6-4-5-8-12-9/h4-6,8H,2-3,7H2,1H3,(H,13,15)
InChIKeyYBMKIUGQGFELEK-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.81
Rot. Bonds5

About N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 139033765) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID139033765
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCCNc1nnc(-c2ccccn2)s1
InChIInChI=1S/C11H14N4S/c1-2-3-7-13-11-15-14-10(16-11)9-6-4-5-8-12-9/h4-6,8H,2-3,7H2,1H3,(H,13,15)
InChIKeyYBMKIUGQGFELEK-UHFFFAOYSA-N
XLogP2.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 139033765) is N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CCCCNc1nnc(-c2ccccn2)s1.
What is the InChIKey of N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is YBMKIUGQGFELEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-3-7-13-11-15-14-10(16-11)9-6-4-5-8-12-9/h4-6,8H,2-3,7H2,1H3,(H,13,15).
What are the key properties of N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 139033765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).