5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine

C11H20N4S — CID 103359350

IUPAC5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCN1CCC(Nc2snc(N)c2C)CC1
InChIInChI=1S/C11H20N4S/c1-3-15-6-4-9(5-7-15)13-11-8(2)10(12)14-16-11/h9,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyXHIBOUOVQRHVNZ-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.93
Rot. Bonds3

About 5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103359350) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103359350
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCN1CCC(Nc2snc(N)c2C)CC1
InChIInChI=1S/C11H20N4S/c1-3-15-6-4-9(5-7-15)13-11-8(2)10(12)14-16-11/h9,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyXHIBOUOVQRHVNZ-UHFFFAOYSA-N
XLogP1.93
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.93
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-4-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103359350) is 5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine is CCN1CCC(Nc2snc(N)c2C)CC1.
What is the InChIKey of 5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is XHIBOUOVQRHVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-15-6-4-9(5-7-15)13-11-8(2)10(12)14-16-11/h9,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(1-ethylpiperidin-4-yl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.93, 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-4-yl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).