5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine

C12H22N4O2S2 — CID 103381614

IUPAC5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
SMILESCC(C)CN1CCN(c2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N4O2S2/c1-9(2)8-15-4-6-16(7-5-15)12-10(20(3,17)18)11(13)14-19-12/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyLSKDHBAUUPKNGN-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.91
Rot. Bonds4

About 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine

5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine (PubChem CID 103381614) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
PubChem CID103381614
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
SMILESCC(C)CN1CCN(c2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C12H22N4O2S2/c1-9(2)8-15-4-6-16(7-5-15)12-10(20(3,17)18)11(13)14-19-12/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyLSKDHBAUUPKNGN-UHFFFAOYSA-N
XLogP0.91
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103380917
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
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
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383159

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine?
The IUPAC name of 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine (CID 103381614) is 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine is CC(C)CN1CCN(c2snc(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine?
The InChIKey is LSKDHBAUUPKNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-9(2)8-15-4-6-16(7-5-15)12-10(20(3,17)18)11(13)14-19-12/h9H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine?
5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine has a molecular weight of 318.47 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103381614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).