N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine

C8H15N3OS — CID 65267986

IUPACN-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCCCNc1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-7-10-8(13-11-7)9-5-3-4-6-12-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyRLHDFBPWJBSYRU-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.69
Rot. Bonds6

About N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267986) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267986
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC NameN-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOCCCCNc1nc(C)ns1
InChIInChI=1S/C8H15N3OS/c1-7-10-8(13-11-7)9-5-3-4-6-12-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyRLHDFBPWJBSYRU-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.69
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-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267986) is N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine is COCCCCNc1nc(C)ns1.
What is the InChIKey of N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RLHDFBPWJBSYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-7-10-8(13-11-7)9-5-3-4-6-12-2/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 201.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).