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

C11H20N4S2 — CID 103359370

IUPAC5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCCN1CCCC(Nc2snc(N)c2SC)C1
InChIInChI=1S/C11H20N4S2/c1-3-15-6-4-5-8(7-15)13-11-9(16-2)10(12)14-17-11/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyFHCQXAFMGGQMPS-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.34
Rot. Bonds4

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

5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359370) has the molecular formula C11H20N4S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359370
Molecular FormulaC11H20N4S2
Molecular Weight272.44 g/mol
Exact Mass272.11
IUPAC Name5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCCN1CCCC(Nc2snc(N)c2SC)C1
InChIInChI=1S/C11H20N4S2/c1-3-15-6-4-5-8(7-15)13-11-9(16-2)10(12)14-17-11/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyFHCQXAFMGGQMPS-UHFFFAOYSA-N
XLogP2.34
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362744
4-methylsulfanyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 113807191
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103348861
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348863
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348869
4-cyclopropylsulfonyl-5-N-(2-piperidin-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103348985
4-cyclopropylsulfonyl-5-N-[(1-methylpiperidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348997
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103349585
4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103349705
4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359190
4-methyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359192
5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359228

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359370) is 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CCN1CCCC(Nc2snc(N)c2SC)C1.
What is the InChIKey of 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is FHCQXAFMGGQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2/c1-3-15-6-4-5-8(7-15)13-11-9(16-2)10(12)14-17-11/h8,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 272.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).