N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C11H17N3O2S — CID 103728439

IUPACN-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCC(C)(O)C2)cs1
InChIInChI=1S/C11H17N3O2S/c1-8(15)12-10-13-9(6-17-10)5-14-4-3-11(2,16)7-14/h6,16H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyXZGLEKYZBPUCPZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.06
Rot. Bonds3

About N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 103728439) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID103728439
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCC(C)(O)C2)cs1
InChIInChI=1S/C11H17N3O2S/c1-8(15)12-10-13-9(6-17-10)5-14-4-3-11(2,16)7-14/h6,16H,3-5,7H2,1-2H3,(H,12,13,15)
InChIKeyXZGLEKYZBPUCPZ-UHFFFAOYSA-N
XLogP1.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 125143148
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 113249885
N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309
N-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146139380
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 80552624
N-[4-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 119924458
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
N-ethyl-N-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115874190
N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 13345423

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 103728439) is N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCC(C)(O)C2)cs1.
What is the InChIKey of N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XZGLEKYZBPUCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8(15)12-10-13-9(6-17-10)5-14-4-3-11(2,16)7-14/h6,16H,3-5,7H2,1-2H3,(H,12,13,15).
What are the key properties of N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 103728439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).