2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C15H21N5OS — CID 90494686

IUPAC2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nccn1CC1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C15H21N5OS/c1-12-16-4-8-20(12)10-13-2-6-19(7-3-13)11-14(21)18-15-17-5-9-22-15/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,18,21)
InChIKeyMOIKMSSVRPIHPD-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.00
Rot. Bonds5

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

2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 90494686) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID90494686
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nccn1CC1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C15H21N5OS/c1-12-16-4-8-20(12)10-13-2-6-19(7-3-13)11-14(21)18-15-17-5-9-22-15/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,18,21)
InChIKeyMOIKMSSVRPIHPD-UHFFFAOYSA-N
XLogP2.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 90494686) is 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nccn1CC1CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MOIKMSSVRPIHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-12-16-4-8-20(12)10-13-2-6-19(7-3-13)11-14(21)18-15-17-5-9-22-15/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,18,21).
What are the key properties of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90494686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).