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

C14H18N6OS — CID 95828011

IUPAC2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(c2csc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C14H18N6OS/c15-12(21)8-20-5-1-10(2-6-20)11-9-22-14(18-11)19-13-7-16-3-4-17-13/h3-4,7,9-10H,1-2,5-6,8H2,(H2,15,21)(H,17,18,19)
InChIKeySDNBHJMZWQLOQR-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.34
Rot. Bonds5

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

2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide (PubChem CID 95828011) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
PubChem CID95828011
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(c2csc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C14H18N6OS/c15-12(21)8-20-5-1-10(2-6-20)11-9-22-14(18-11)19-13-7-16-3-4-17-13/h3-4,7,9-10H,1-2,5-6,8H2,(H2,15,21)(H,17,18,19)
InChIKeySDNBHJMZWQLOQR-UHFFFAOYSA-N
XLogP1.34
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide (CID 95828011) is 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCC(c2csc(Nc3cnccn3)n2)CC1.
What is the InChIKey of 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide?
The InChIKey is SDNBHJMZWQLOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c15-12(21)8-20-5-1-10(2-6-20)11-9-22-14(18-11)19-13-7-16-3-4-17-13/h3-4,7,9-10H,1-2,5-6,8H2,(H2,15,21)(H,17,18,19).
What are the key properties of 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide?
2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide has a molecular weight of 318.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95828011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).