[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C15H24N4O2S — CID 120941808

IUPAC[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCCc1cnc(N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-3-12-10-17-15(22-12)19-7-5-18(6-8-19)14(20)13-11(2)21-9-4-16-13/h10-11,13,16H,3-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyCBYJSSHPSAFYRD-YPMHNXCESA-N
MW324.45 g/mol
LogP0.73
Rot. Bonds3

About [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone

[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120941808) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120941808
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCCc1cnc(N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-3-12-10-17-15(22-12)19-7-5-18(6-8-19)14(20)13-11(2)21-9-4-16-13/h10-11,13,16H,3-9H2,1-2H3/t11-,13+/m1/s1
InChIKeyCBYJSSHPSAFYRD-YPMHNXCESA-N
XLogP0.73
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120941808) is [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is CCc1cnc(N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)s1.
What is the InChIKey of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is CBYJSSHPSAFYRD-YPMHNXCESA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-12-10-17-15(22-12)19-7-5-18(6-8-19)14(20)13-11(2)21-9-4-16-13/h10-11,13,16H,3-9H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 324.45 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120941808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).