N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide

C15H25N3O2S — CID 97197758

IUPACN-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCN1CCCC[C@@H]1CCC(=O)N(CCO)Cc1nccs1
InChIInChI=1S/C15H25N3O2S/c1-17-8-3-2-4-13(17)5-6-15(20)18(9-10-19)12-14-16-7-11-21-14/h7,11,13,19H,2-6,8-10,12H2,1H3/t13-/m1/s1
InChIKeyUPVBRQWPTPIGAU-CYBMUJFWSA-N
MW311.45 g/mol
LogP1.73
Rot. Bonds7

About N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide

N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 97197758) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID97197758
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCN1CCCC[C@@H]1CCC(=O)N(CCO)Cc1nccs1
InChIInChI=1S/C15H25N3O2S/c1-17-8-3-2-4-13(17)5-6-15(20)18(9-10-19)12-14-16-7-11-21-14/h7,11,13,19H,2-6,8-10,12H2,1H3/t13-/m1/s1
InChIKeyUPVBRQWPTPIGAU-CYBMUJFWSA-N
XLogP1.73
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
N-benzyl-2-(1-methylpyrrolidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 68668977
N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 50956753
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]-1,3-thiazole
CID 164631730
N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide
CID 168720733
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97191951
(2R)-N-(2-hydroxyethyl)-1-methyl-N-[(3-methylthiophen-2-yl)methyl]azepane-2-carboxamide
CID 95123004
N-methyl-3-(1-methylpiperidin-2-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 50967172
N-methyl-3-[(2R)-1-methylpiperidin-2-yl]-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 97189300
2-(5-acetylthiophen-3-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 74245531
N-(2-methoxyethyl)-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 95715933
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 97197758) is N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide is CN1CCCC[C@@H]1CCC(=O)N(CCO)Cc1nccs1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is UPVBRQWPTPIGAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17-8-3-2-4-13(17)5-6-15(20)18(9-10-19)12-14-16-7-11-21-14/h7,11,13,19H,2-6,8-10,12H2,1H3/t13-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide?
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 311.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 97197758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).