5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine

C13H23N3O2S2 — CID 103379610

IUPAC5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
SMILESCC(C)(C)C1CCN(c2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C13H23N3O2S2/c1-13(2,3)9-5-7-16(8-6-9)12-10(20(4,17)18)11(14)15-19-12/h9H,5-8H2,1-4H3,(H2,14,15)
InChIKeyLUJPXMMHTXNKJB-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.39
Rot. Bonds2

About 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine

5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine (PubChem CID 103379610) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
PubChem CID103379610
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
SMILESCC(C)(C)C1CCN(c2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C13H23N3O2S2/c1-13(2,3)9-5-7-16(8-6-9)12-10(20(4,17)18)11(14)15-19-12/h9H,5-8H2,1-4H3,(H2,14,15)
InChIKeyLUJPXMMHTXNKJB-UHFFFAOYSA-N
XLogP2.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
5-(4-tert-butylpiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103360617
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
5-(4-tert-butylpiperidin-1-yl)-4-cyclopropyl-1,2-thiazol-3-amine
CID 103360618
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800
N-[1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 103384147
3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103379615
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382034
4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
CID 103381681
4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
CID 103382080
5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381614

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine (CID 103379610) is 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine is CC(C)(C)C1CCN(c2snc(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The InChIKey is LUJPXMMHTXNKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-13(2,3)9-5-7-16(8-6-9)12-10(20(4,17)18)11(14)15-19-12/h9H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine has a molecular weight of 317.48 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103379610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).