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

C9H17N3OS — CID 103285305

IUPAC5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)COCc1nnc(N)s1
InChIInChI=1S/C9H17N3OS/c1-3-4-7(2)5-13-6-8-11-12-9(10)14-8/h7H,3-6H2,1-2H3,(H2,10,12)
InChIKeyOWNILMRQZVIDGH-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.07
Rot. Bonds6

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

5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 103285305) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID103285305
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)COCc1nnc(N)s1
InChIInChI=1S/C9H17N3OS/c1-3-4-7(2)5-13-6-8-11-12-9(10)14-8/h7H,3-6H2,1-2H3,(H2,10,12)
InChIKeyOWNILMRQZVIDGH-UHFFFAOYSA-N
XLogP2.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Propoxymethyl)-1,3,4-thiadiazol-2-amine
CID 51342161
5-(3-Methylbutoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607764
5-(2-Ethylhexoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607771
N-methyl-5-(4-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607860
5-[(4-Methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80607953
5-(4-Methylpentoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80607956
5-(4-Methylpentan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608135
5-(2-Methylbutan-2-yloxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608138
5-(Cyclopropylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608140
5-(2-Methylpropoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608318
5-(Hexoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608321
5-[(2-Methylcyclohexyl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608405

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine (CID 103285305) is 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine is CCCC(C)COCc1nnc(N)s1.
What is the InChIKey of 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OWNILMRQZVIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-4-7(2)5-13-6-8-11-12-9(10)14-8/h7H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 215.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103285305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).