5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

C12H22N4O2S2 — CID 162718368

IUPAC5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1sc(N)nc1CN1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H22N4O2S2/c1-3-11-10(14-12(13)19-11)9-15-5-7-16(8-6-15)20(17,18)4-2/h3-9H2,1-2H3,(H2,13,14)
InChIKeyPGNTURYTLSXHNY-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.75
Rot. Bonds5

About 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 162718368) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID162718368
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1sc(N)nc1CN1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C12H22N4O2S2/c1-3-11-10(14-12(13)19-11)9-15-5-7-16(8-6-15)20(17,18)4-2/h3-9H2,1-2H3,(H2,13,14)
InChIKeyPGNTURYTLSXHNY-UHFFFAOYSA-N
XLogP0.75
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (CID 162718368) is 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is CCc1sc(N)nc1CN1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PGNTURYTLSXHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-3-11-10(14-12(13)19-11)9-15-5-7-16(8-6-15)20(17,18)4-2/h3-9H2,1-2H3,(H2,13,14).
What are the key properties of 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 318.47 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 162718368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).