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

C7H13N3OS — CID 64915766

IUPACN-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOCCCNc1nnc(C)s1
InChIInChI=1S/C7H13N3OS/c1-6-9-10-7(12-6)8-4-3-5-11-2/h3-5H2,1-2H3,(H,8,10)
InChIKeySIYGFMCKBSXJKU-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.29
Rot. Bonds5

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

N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64915766) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64915766
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC NameN-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOCCCNc1nnc(C)s1
InChIInChI=1S/C7H13N3OS/c1-6-9-10-7(12-6)8-4-3-5-11-2/h3-5H2,1-2H3,(H,8,10)
InChIKeySIYGFMCKBSXJKU-UHFFFAOYSA-N
XLogP1.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.29
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-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 64915766) is N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine is COCCCNc1nnc(C)s1.
What is the InChIKey of N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SIYGFMCKBSXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-6-9-10-7(12-6)8-4-3-5-11-2/h3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 187.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64915766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).