4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine

C12H21N3O2S2 — CID 114594022

IUPAC4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C12H21N3O2S2/c1-7-5-8(2)10(4)15(6-7)19(16,17)11-9(3)14-12(13)18-11/h7-8,10H,5-6H2,1-4H3,(H2,13,14)
InChIKeyQXEQRLHUPVVGNX-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.09
Rot. Bonds2

About 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine

4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 114594022) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine
PubChem CID114594022
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C12H21N3O2S2/c1-7-5-8(2)10(4)15(6-7)19(16,17)11-9(3)14-12(13)18-11/h7-8,10H,5-6H2,1-4H3,(H2,13,14)
InChIKeyQXEQRLHUPVVGNX-UHFFFAOYSA-N
XLogP2.09
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine (CID 114594022) is 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine is Cc1nc(N)sc1S(=O)(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is QXEQRLHUPVVGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-7-5-8(2)10(4)15(6-7)19(16,17)11-9(3)14-12(13)18-11/h7-8,10H,5-6H2,1-4H3,(H2,13,14).
What are the key properties of 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine?
4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 303.45 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,3,5-trimethylpiperidin-1-yl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114594022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).