2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide

C13H16N6OS — CID 118740364

IUPAC2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC1c1csc(Nc2cnccn2)n1
InChIInChI=1S/C13H16N6OS/c14-11(20)7-19-5-1-2-10(19)9-8-21-13(17-9)18-12-6-15-3-4-16-12/h3-4,6,8,10H,1-2,5,7H2,(H2,14,20)(H,16,17,18)
InChIKeyNEFCINUBSHDIIU-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.30
Rot. Bonds5

About 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide

2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide (PubChem CID 118740364) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
PubChem CID118740364
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC1c1csc(Nc2cnccn2)n1
InChIInChI=1S/C13H16N6OS/c14-11(20)7-19-5-1-2-10(19)9-8-21-13(17-9)18-12-6-15-3-4-16-12/h3-4,6,8,10H,1-2,5,7H2,(H2,14,20)(H,16,17,18)
InChIKeyNEFCINUBSHDIIU-UHFFFAOYSA-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

3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
CID 110270511
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
CID 155985678
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
2-methyl-1-[(3S)-3-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propan-1-one
CID 95823746
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514
N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 155986742
4-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 95823699
2-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 110255924
2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95842898
2-[(2S)-2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]acetamide
CID 95842902
(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
CID 95823903

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide (CID 118740364) is 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide is NC(=O)CN1CCCC1c1csc(Nc2cnccn2)n1.
What is the InChIKey of 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is NEFCINUBSHDIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c14-11(20)7-19-5-1-2-10(19)9-8-21-13(17-9)18-12-6-15-3-4-16-12/h3-4,6,8,10H,1-2,5,7H2,(H2,14,20)(H,16,17,18).
What are the key properties of 2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide?
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-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-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 118740364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).