N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

C12H17N3O3S — CID 136538437

IUPACN-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CC(O)C(C)(C)C2)cs1
InChIInChI=1S/C12H17N3O3S/c1-7(16)13-11-14-8(5-19-11)10(18)15-4-9(17)12(2,3)6-15/h5,9,17H,4,6H2,1-3H3,(H,13,14,16)
InChIKeyKVTDXYVDEDQQKV-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.94
Rot. Bonds2

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

N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 136538437) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID136538437
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CC(O)C(C)(C)C2)cs1
InChIInChI=1S/C12H17N3O3S/c1-7(16)13-11-14-8(5-19-11)10(18)15-4-9(17)12(2,3)6-15/h5,9,17H,4,6H2,1-3H3,(H,13,14,16)
InChIKeyKVTDXYVDEDQQKV-UHFFFAOYSA-N
XLogP0.94
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 106671767
N-[4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 115874539
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287
N-[4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94023301
N-[4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 71936201
N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 136543085
(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126451698
N-[4-(2,2-dimethyl-5-oxopiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 136540560
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72941054
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 66264126
N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 39043901
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 43623809

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 136538437) is N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CC(O)C(C)(C)C2)cs1.
What is the InChIKey of N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KVTDXYVDEDQQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7(16)13-11-14-8(5-19-11)10(18)15-4-9(17)12(2,3)6-15/h5,9,17H,4,6H2,1-3H3,(H,13,14,16).
What are the key properties of N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 283.35 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 136538437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).