[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C16H30N4O2S — CID 119903128

IUPAC[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCC(C)N1CCOC(CN2CCN(C(=O)C3CSCN3)CC2)C1
InChIInChI=1S/C16H30N4O2S/c1-13(2)20-7-8-22-14(10-20)9-18-3-5-19(6-4-18)16(21)15-11-23-12-17-15/h13-15,17H,3-12H2,1-2H3
InChIKeyGUNGKSGWXIHLNN-UHFFFAOYSA-N
MW342.51 g/mol
LogP-0.10
Rot. Bonds4

About [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 119903128) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID119903128
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC Name[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCC(C)N1CCOC(CN2CCN(C(=O)C3CSCN3)CC2)C1
InChIInChI=1S/C16H30N4O2S/c1-13(2)20-7-8-22-14(10-20)9-18-3-5-19(6-4-18)16(21)15-11-23-12-17-15/h13-15,17H,3-12H2,1-2H3
InChIKeyGUNGKSGWXIHLNN-UHFFFAOYSA-N
XLogP-0.10
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone with MolForge

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119322366
[2-(methoxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328879
[2-(hydroxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322360
1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride
CID 120983013
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 119276152
(3,5-dimethylfuran-2-yl)-[4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 124609048
(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 124609049
4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
CID 124565728
(2-methylmorpholin-4-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119276151
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
CID 64533750
methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 115537318

Frequently Asked Questions

What is the IUPAC name of [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 119903128) is [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is CC(C)N1CCOC(CN2CCN(C(=O)C3CSCN3)CC2)C1.
What is the InChIKey of [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is GUNGKSGWXIHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2S/c1-13(2)20-7-8-22-14(10-20)9-18-3-5-19(6-4-18)16(21)15-11-23-12-17-15/h13-15,17H,3-12H2,1-2H3.
What are the key properties of [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 342.51 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 119903128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).