5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine

C11H19N3S2 — CID 103362636

IUPAC5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CCC(C)CC1C
InChIInChI=1S/C11H19N3S2/c1-7-4-5-14(8(2)6-7)11-9(15-3)10(12)13-16-11/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKeyVSSONNFEKIOMIY-UHFFFAOYSA-N
MW257.43 g/mol
LogP3.07
Rot. Bonds2

About 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine

5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine (PubChem CID 103362636) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
PubChem CID103362636
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CCC(C)CC1C
InChIInChI=1S/C11H19N3S2/c1-7-4-5-14(8(2)6-7)11-9(15-3)10(12)13-16-11/h7-8H,4-6H2,1-3H3,(H2,12,13)
InChIKeyVSSONNFEKIOMIY-UHFFFAOYSA-N
XLogP3.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine (CID 103362636) is 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine is CSc1c(N)nsc1N1CCC(C)CC1C.
What is the InChIKey of 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
The InChIKey is VSSONNFEKIOMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-7-4-5-14(8(2)6-7)11-9(15-3)10(12)13-16-11/h7-8H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine?
5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine has a molecular weight of 257.43 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpiperidin-1-yl)-4-methylsulfanyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103362636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).