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

C10H18N4S — CID 103359379

IUPAC5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCCN1CCCC(Nc2cc(N)ns2)C1
InChIInChI=1S/C10H18N4S/c1-2-14-5-3-4-8(7-14)12-10-6-9(11)13-15-10/h6,8,12H,2-5,7H2,1H3,(H2,11,13)
InChIKeyKDTRHNNMFNDIHF-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.62
Rot. Bonds3

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

5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359379) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359379
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCCN1CCCC(Nc2cc(N)ns2)C1
InChIInChI=1S/C10H18N4S/c1-2-14-5-3-4-8(7-14)12-10-6-9(11)13-15-10/h6,8,12H,2-5,7H2,1H3,(H2,11,13)
InChIKeyKDTRHNNMFNDIHF-UHFFFAOYSA-N
XLogP1.62
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (CID 103359379) is 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is CCN1CCCC(Nc2cc(N)ns2)C1.
What is the InChIKey of 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is KDTRHNNMFNDIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-14-5-3-4-8(7-14)12-10-6-9(11)13-15-10/h6,8,12H,2-5,7H2,1H3,(H2,11,13).
What are the key properties of 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).