5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine

C9H16N4S — CID 103359427

IUPAC5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCN1CCCC(Nc2cc(N)ns2)C1
InChIInChI=1S/C9H16N4S/c1-13-4-2-3-7(6-13)11-9-5-8(10)12-14-9/h5,7,11H,2-4,6H2,1H3,(H2,10,12)
InChIKeyHJNVGPQDVUSXFM-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.23
Rot. Bonds2

About 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine

5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359427) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359427
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCN1CCCC(Nc2cc(N)ns2)C1
InChIInChI=1S/C9H16N4S/c1-13-4-2-3-7(6-13)11-9-5-8(10)12-14-9/h5,7,11H,2-4,6H2,1H3,(H2,10,12)
InChIKeyHJNVGPQDVUSXFM-UHFFFAOYSA-N
XLogP1.23
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (CID 103359427) is 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is CN1CCCC(Nc2cc(N)ns2)C1.
What is the InChIKey of 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is HJNVGPQDVUSXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-13-4-2-3-7(6-13)11-9-5-8(10)12-14-9/h5,7,11H,2-4,6H2,1H3,(H2,10,12).
What are the key properties of 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).