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

C12H21N3O2S2 — CID 103380926

IUPAC4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
SMILESCCCC1CCN(c2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N3O2S2/c1-3-4-9-5-7-15(8-6-9)12-10(19(2,16)17)11(13)14-18-12/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyURMBITINYFVFBS-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.15
Rot. Bonds4

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

4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103380926) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103380926
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
SMILESCCCC1CCN(c2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C12H21N3O2S2/c1-3-4-9-5-7-15(8-6-9)12-10(19(2,16)17)11(13)14-18-12/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyURMBITINYFVFBS-UHFFFAOYSA-N
XLogP2.15
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361819
5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381614
N-[1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 103384147
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800
4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363122
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382034
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
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

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine (CID 103380926) is 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine is CCCC1CCN(c2snc(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is URMBITINYFVFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-4-9-5-7-15(8-6-9)12-10(19(2,16)17)11(13)14-18-12/h9H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine?
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 303.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103380926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).