5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine

C10H19N3OS — CID 80609028

IUPAC5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCCCCOCc1nnc(N)s1
InChIInChI=1S/C10H19N3OS/c1-2-3-4-5-6-7-14-8-9-12-13-10(11)15-9/h2-8H2,1H3,(H2,11,13)
InChIKeyLXVDYNXUARWHPZ-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.61
Rot. Bonds8

About 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine

5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80609028) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80609028
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCCCCOCc1nnc(N)s1
InChIInChI=1S/C10H19N3OS/c1-2-3-4-5-6-7-14-8-9-12-13-10(11)15-9/h2-8H2,1H3,(H2,11,13)
InChIKeyLXVDYNXUARWHPZ-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608321
5-nonyl-1,3,4-thiadiazol-2-amine
CID 3866264
N-ethyl-5-(octoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608322
5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine
CID 103285305
O-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)ethanethioate
CID 141438698
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607952
heptadecoxymethanamine
CID 134173154
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80609028) is 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine is CCCCCCCOCc1nnc(N)s1.
What is the InChIKey of 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LXVDYNXUARWHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-2-3-4-5-6-7-14-8-9-12-13-10(11)15-9/h2-8H2,1H3,(H2,11,13).
What are the key properties of 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80609028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).