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

C15H20N4OS2 — CID 120998421

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(CC(=O)Nc2ncc(C3CCNCC3)s2)cs1
InChIInChI=1S/C15H20N4OS2/c1-2-14-18-11(9-21-14)7-13(20)19-15-17-8-12(22-15)10-3-5-16-6-4-10/h8-10,16H,2-7H2,1H3,(H,17,19,20)
InChIKeyADEKVVMKFSVDAG-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.81
Rot. Bonds5

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

2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 120998421) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
PubChem CID120998421
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(CC(=O)Nc2ncc(C3CCNCC3)s2)cs1
InChIInChI=1S/C15H20N4OS2/c1-2-14-18-11(9-21-14)7-13(20)19-15-17-8-12(22-15)10-3-5-16-6-4-10/h8-10,16H,2-7H2,1H3,(H,17,19,20)
InChIKeyADEKVVMKFSVDAG-UHFFFAOYSA-N
XLogP2.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide (CID 120998421) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide is CCc1nc(CC(=O)Nc2ncc(C3CCNCC3)s2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ADEKVVMKFSVDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-2-14-18-11(9-21-14)7-13(20)19-15-17-8-12(22-15)10-3-5-16-6-4-10/h8-10,16H,2-7H2,1H3,(H,17,19,20).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 336.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 120998421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).