2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide

C14H17N5OS — CID 95826635

IUPAC2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1CCN(c2ncccn2)CC1)Nc1nccs1
InChIInChI=1S/C14H17N5OS/c20-12(18-14-17-6-9-21-14)10-11-2-7-19(8-3-11)13-15-4-1-5-16-13/h1,4-6,9,11H,2-3,7-8,10H2,(H,17,18,20)
InChIKeyNNIBNUPEDUWCGH-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.18
Rot. Bonds4

About 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95826635) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95826635
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1CCN(c2ncccn2)CC1)Nc1nccs1
InChIInChI=1S/C14H17N5OS/c20-12(18-14-17-6-9-21-14)10-11-2-7-19(8-3-11)13-15-4-1-5-16-13/h1,4-6,9,11H,2-3,7-8,10H2,(H,17,18,20)
InChIKeyNNIBNUPEDUWCGH-UHFFFAOYSA-N
XLogP2.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 95826635) is 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1CCN(c2ncccn2)CC1)Nc1nccs1.
What is the InChIKey of 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NNIBNUPEDUWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-12(18-14-17-6-9-21-14)10-11-2-7-19(8-3-11)13-15-4-1-5-16-13/h1,4-6,9,11H,2-3,7-8,10H2,(H,17,18,20).
What are the key properties of 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95826635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).