N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide

C14H17N5OS — CID 155983959

IUPACN-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2nccnc2C2CCNCC2)s1
InChIInChI=1S/C14H17N5OS/c1-9(20)19-14-18-8-11(21-14)13-12(16-6-7-17-13)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3,(H,18,19,20)
InChIKeyMJMQHRGKILNHNN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.03
Rot. Bonds3

About N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide

N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 155983959) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID155983959
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2nccnc2C2CCNCC2)s1
InChIInChI=1S/C14H17N5OS/c1-9(20)19-14-18-8-11(21-14)13-12(16-6-7-17-13)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3,(H,18,19,20)
InChIKeyMJMQHRGKILNHNN-UHFFFAOYSA-N
XLogP2.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide (CID 155983959) is N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(-c2nccnc2C2CCNCC2)s1.
What is the InChIKey of N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MJMQHRGKILNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9(20)19-14-18-8-11(21-14)13-12(16-6-7-17-13)10-2-4-15-5-3-10/h6-8,10,15H,2-5H2,1H3,(H,18,19,20).
What are the key properties of N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide?
N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-piperidin-4-ylpyrazin-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155983959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).