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

C17H25N5OS — CID 91833115

IUPAC2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nccs1)N1CCC(Cn2ccnc2C)CC1
InChIInChI=1S/C17H25N5OS/c1-3-15(16(23)20-17-19-7-11-24-17)21-8-4-14(5-9-21)12-22-10-6-18-13(22)2/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H,19,20,23)
InChIKeyKFOJRQKSZGYMCU-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.78
Rot. Bonds6

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

2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 91833115) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
PubChem CID91833115
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nccs1)N1CCC(Cn2ccnc2C)CC1
InChIInChI=1S/C17H25N5OS/c1-3-15(16(23)20-17-19-7-11-24-17)21-8-4-14(5-9-21)12-22-10-6-18-13(22)2/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H,19,20,23)
InChIKeyKFOJRQKSZGYMCU-UHFFFAOYSA-N
XLogP2.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.78
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)butanamide?
The IUPAC name of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide (CID 91833115) is 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide is CCC(C(=O)Nc1nccs1)N1CCC(Cn2ccnc2C)CC1.
What is the InChIKey of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is KFOJRQKSZGYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-15(16(23)20-17-19-7-11-24-17)21-8-4-14(5-9-21)12-22-10-6-18-13(22)2/h6-7,10-11,14-15H,3-5,8-9,12H2,1-2H3,(H,19,20,23).
What are the key properties of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide?
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 347.49 g/mol, XLogP of 2.78, 6 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)butanamide is sourced from PubChem (CID 91833115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).