5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine

C15H22N4S2 — CID 103349401

IUPAC5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine
SMILESCCC1(C)CCN(c2snc(N)c2-c2nc(C)cs2)CC1
InChIInChI=1S/C15H22N4S2/c1-4-15(3)5-7-19(8-6-15)14-11(12(16)18-21-14)13-17-10(2)9-20-13/h9H,4-8H2,1-3H3,(H2,16,18)
InChIKeyPXXSNDGEAHUNTK-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.17
Rot. Bonds3

About 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine

5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine (PubChem CID 103349401) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine
PubChem CID103349401
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine
SMILESCCC1(C)CCN(c2snc(N)c2-c2nc(C)cs2)CC1
InChIInChI=1S/C15H22N4S2/c1-4-15(3)5-7-19(8-6-15)14-11(12(16)18-21-14)13-17-10(2)9-20-13/h9H,4-8H2,1-3H3,(H2,16,18)
InChIKeyPXXSNDGEAHUNTK-UHFFFAOYSA-N
XLogP4.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine (CID 103349401) is 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine is CCC1(C)CCN(c2snc(N)c2-c2nc(C)cs2)CC1.
What is the InChIKey of 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine?
The InChIKey is PXXSNDGEAHUNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-4-15(3)5-7-19(8-6-15)14-11(12(16)18-21-14)13-17-10(2)9-20-13/h9H,4-8H2,1-3H3,(H2,16,18).
What are the key properties of 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine?
5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine has a molecular weight of 322.50 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-4-methylpiperidin-1-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103349401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).