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

C9H17N3S — CID 10241878

IUPAC5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)CCc1nnc(N)s1
InChIInChI=1S/C9H17N3S/c1-3-7(4-2)5-6-8-11-12-9(10)13-8/h7H,3-6H2,1-2H3,(H2,10,12)
InChIKeySTZZYJXQYFSPTB-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.49
Rot. Bonds5

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

5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine (PubChem CID 10241878) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine
PubChem CID10241878
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)CCc1nnc(N)s1
InChIInChI=1S/C9H17N3S/c1-3-7(4-2)5-6-8-11-12-9(10)13-8/h7H,3-6H2,1-2H3,(H2,10,12)
InChIKeySTZZYJXQYFSPTB-UHFFFAOYSA-N
XLogP2.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine (CID 10241878) is 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine is CCC(CC)CCc1nnc(N)s1.
What is the InChIKey of 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is STZZYJXQYFSPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-7(4-2)5-6-8-11-12-9(10)13-8/h7H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine?
5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpentyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 10241878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).