3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide

C17H28N4O2S — CID 97200731

IUPAC3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)NCc1csc(N2CCOCC2)n1
InChIInChI=1S/C17H28N4O2S/c1-20-7-3-2-4-15(20)5-6-16(22)18-12-14-13-24-17(19-14)21-8-10-23-11-9-21/h13,15H,2-12H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyJFPGTSLOSDLODU-HNNXBMFYSA-N
MW352.50 g/mol
LogP1.86
Rot. Bonds6

About 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide

3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 97200731) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID97200731
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)NCc1csc(N2CCOCC2)n1
InChIInChI=1S/C17H28N4O2S/c1-20-7-3-2-4-15(20)5-6-16(22)18-12-14-13-24-17(19-14)21-8-10-23-11-9-21/h13,15H,2-12H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyJFPGTSLOSDLODU-HNNXBMFYSA-N
XLogP1.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 138384779
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 50960264
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70779660
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 91830066
2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 91760407
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 97200731) is 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide is CN1CCCC[C@H]1CCC(=O)NCc1csc(N2CCOCC2)n1.
What is the InChIKey of 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is JFPGTSLOSDLODU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-20-7-3-2-4-15(20)5-6-16(22)18-12-14-13-24-17(19-14)21-8-10-23-11-9-21/h13,15H,2-12H2,1H3,(H,18,22)/t15-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 352.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 97200731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).