2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide

C11H18N4OS — CID 120998569

IUPAC2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESCNCC(=O)Nc1ncc(C2CCNCC2)s1
InChIInChI=1S/C11H18N4OS/c1-12-7-10(16)15-11-14-6-9(17-11)8-2-4-13-5-3-8/h6,8,12-13H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyOPJLVWBZHRKGDP-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.77
Rot. Bonds4

About 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide

2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 120998569) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
PubChem CID120998569
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESCNCC(=O)Nc1ncc(C2CCNCC2)s1
InChIInChI=1S/C11H18N4OS/c1-12-7-10(16)15-11-14-6-9(17-11)8-2-4-13-5-3-8/h6,8,12-13H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyOPJLVWBZHRKGDP-UHFFFAOYSA-N
XLogP0.77
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide (CID 120998569) is 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide is CNCC(=O)Nc1ncc(C2CCNCC2)s1.
What is the InChIKey of 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OPJLVWBZHRKGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-12-7-10(16)15-11-14-6-9(17-11)8-2-4-13-5-3-8/h6,8,12-13H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 254.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 120998569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).