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

C14H17N5O2S — CID 110270511

IUPAC3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC1c1csc(Nc2cnccn2)n1
InChIInChI=1S/C14H17N5O2S/c20-13(21)3-7-19-6-1-2-11(19)10-9-22-14(17-10)18-12-8-15-4-5-16-12/h4-5,8-9,11H,1-3,6-7H2,(H,20,21)(H,16,17,18)
InChIKeySIPQIVRTMBGYIK-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.29
Rot. Bonds6

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

3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid (PubChem CID 110270511) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
PubChem CID110270511
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCCC1c1csc(Nc2cnccn2)n1
InChIInChI=1S/C14H17N5O2S/c20-13(21)3-7-19-6-1-2-11(19)10-9-22-14(17-10)18-12-8-15-4-5-16-12/h4-5,8-9,11H,1-3,6-7H2,(H,20,21)(H,16,17,18)
InChIKeySIPQIVRTMBGYIK-UHFFFAOYSA-N
XLogP2.29
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
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-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-N-pyrazin-2-yl-1,3-thiazol-2-amine
CID 95823699
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
1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
CID 95823903
1-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]ethanone
CID 143665651
2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile
CID 132770960
3-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 115043814

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid (CID 110270511) is 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid is O=C(O)CCN1CCCC1c1csc(Nc2cnccn2)n1.
What is the InChIKey of 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid?
The InChIKey is SIPQIVRTMBGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-13(21)3-7-19-6-1-2-11(19)10-9-22-14(17-10)18-12-8-15-4-5-16-12/h4-5,8-9,11H,1-3,6-7H2,(H,20,21)(H,16,17,18).
What are the key properties of 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid?
3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid has a molecular weight of 319.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 110270511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).