2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide

C13H16N6OS — CID 95828031

IUPAC2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H]1c1nccnc1Nc1nccs1
InChIInChI=1S/C13H16N6OS/c14-10(20)8-19-6-1-2-9(19)11-12(16-4-3-15-11)18-13-17-5-7-21-13/h3-5,7,9H,1-2,6,8H2,(H2,14,20)(H,16,17,18)/t9-/m0/s1
InChIKeyDQJMRDPCEJDLFB-VIFPVBQESA-N
MW304.38 g/mol
LogP1.30
Rot. Bonds5

About 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide

2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95828031) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID95828031
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H]1c1nccnc1Nc1nccs1
InChIInChI=1S/C13H16N6OS/c14-10(20)8-19-6-1-2-9(19)11-12(16-4-3-15-11)18-13-17-5-7-21-13/h3-5,7,9H,1-2,6,8H2,(H2,14,20)(H,16,17,18)/t9-/m0/s1
InChIKeyDQJMRDPCEJDLFB-VIFPVBQESA-N
XLogP1.30
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
CID 127245150
2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843049
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
N,N-dimethyl-2-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270567
N-[3-[(2R)-1-ethylpyrrolidin-2-yl]pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 95844408
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 136542577
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97008723
2-amino-1-[2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone;dihydrochloride
CID 171687472
2-[3-[3-(methylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110269870

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide (CID 95828031) is 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide is NC(=O)CN1CCC[C@H]1c1nccnc1Nc1nccs1.
What is the InChIKey of 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is DQJMRDPCEJDLFB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N6OS/c14-10(20)8-19-6-1-2-9(19)11-12(16-4-3-15-11)18-13-17-5-7-21-13/h3-5,7,9H,1-2,6,8H2,(H2,14,20)(H,16,17,18)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95828031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).