5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine

C11H20N4S — CID 103359434

IUPAC5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCN2CCCCCC2)sn1
InChIInChI=1S/C11H20N4S/c12-10-9-11(16-14-10)13-5-8-15-6-3-1-2-4-7-15/h9,13H,1-8H2,(H2,12,14)
InChIKeyPQDQIXQDXIWTLL-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.01
Rot. Bonds4

About 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine

5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359434) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103359434
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCN2CCCCCC2)sn1
InChIInChI=1S/C11H20N4S/c12-10-9-11(16-14-10)13-5-8-15-6-3-1-2-4-7-15/h9,13H,1-8H2,(H2,12,14)
InChIKeyPQDQIXQDXIWTLL-UHFFFAOYSA-N
XLogP2.01
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103359434) is 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine is Nc1cc(NCCN2CCCCCC2)sn1.
What is the InChIKey of 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is PQDQIXQDXIWTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c12-10-9-11(16-14-10)13-5-8-15-6-3-1-2-4-7-15/h9,13H,1-8H2,(H2,12,14).
What are the key properties of 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine?
5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).