2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

C11H17N3O2S — CID 133130632

IUPAC2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)CN(c2nc(C(N)=O)cs2)C[C@@]1(C)O
InChIInChI=1S/C11H17N3O2S/c1-10(2)5-14(6-11(10,3)16)9-13-7(4-17-9)8(12)15/h4,16H,5-6H2,1-3H3,(H2,12,15)/t11-/m1/s1
InChIKeyBGPFPUGTGLVWRK-LLVKDONJSA-N
MW255.34 g/mol
LogP0.84
Rot. Bonds2

About 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 133130632) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID133130632
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)CN(c2nc(C(N)=O)cs2)C[C@@]1(C)O
InChIInChI=1S/C11H17N3O2S/c1-10(2)5-14(6-11(10,3)16)9-13-7(4-17-9)8(12)15/h4,16H,5-6H2,1-3H3,(H2,12,15)/t11-/m1/s1
InChIKeyBGPFPUGTGLVWRK-LLVKDONJSA-N
XLogP0.84
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
2-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-1,3-thiazole-4-carboxamide
CID 133136164
S-[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] ethanethioate
CID 22242732
2-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)-1,3-thiazole-4-carboxamide
CID 56899725
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 50952783
2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide
CID 125143689
[1-(4-carbamoyl-1,3-thiazol-2-yl)pyrrolidin-3-yl] methanesulfonate
CID 22242894
2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70741919
2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 50973959
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72941054
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (CID 133130632) is 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is CC1(C)CN(c2nc(C(N)=O)cs2)C[C@@]1(C)O.
What is the InChIKey of 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is BGPFPUGTGLVWRK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-10(2)5-14(6-11(10,3)16)9-13-7(4-17-9)8(12)15/h4,16H,5-6H2,1-3H3,(H2,12,15)/t11-/m1/s1.
What are the key properties of 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 133130632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).