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

C9H17N3OS — CID 80608321

IUPAC5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCCCOCc1nnc(N)s1
InChIInChI=1S/C9H17N3OS/c1-2-3-4-5-6-13-7-8-11-12-9(10)14-8/h2-7H2,1H3,(H2,10,12)
InChIKeyHHILUUFWIMZTOH-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.22
Rot. Bonds7

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

5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80608321) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80608321
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCCCCOCc1nnc(N)s1
InChIInChI=1S/C9H17N3OS/c1-2-3-4-5-6-13-7-8-11-12-9(10)14-8/h2-7H2,1H3,(H2,10,12)
InChIKeyHHILUUFWIMZTOH-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.22
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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Related Compounds

5-(heptoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80609028
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-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine (CID 80608321) is 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine is CCCCCCOCc1nnc(N)s1.
What is the InChIKey of 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HHILUUFWIMZTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-3-4-5-6-13-7-8-11-12-9(10)14-8/h2-7H2,1H3,(H2,10,12).
What are the key properties of 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 215.32 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).