2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C16H22N4O2S2 — CID 120998289

IUPAC2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCOC(C)c1ncc(C(=O)Nc2ncc(C3CCNCC3)s2)s1
InChIInChI=1S/C16H22N4O2S2/c1-3-22-10(2)15-18-9-13(23-15)14(21)20-16-19-8-12(24-16)11-4-6-17-7-5-11/h8-11,17H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyFFANTWYHOFEAMA-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.42
Rot. Bonds6

About 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 120998289) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID120998289
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC Name2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCOC(C)c1ncc(C(=O)Nc2ncc(C3CCNCC3)s2)s1
InChIInChI=1S/C16H22N4O2S2/c1-3-22-10(2)15-18-9-13(23-15)14(21)20-16-19-8-12(24-16)11-4-6-17-7-5-11/h8-11,17H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyFFANTWYHOFEAMA-UHFFFAOYSA-N
XLogP3.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 120998289) is 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is CCOC(C)c1ncc(C(=O)Nc2ncc(C3CCNCC3)s2)s1.
What is the InChIKey of 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is FFANTWYHOFEAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-3-22-10(2)15-18-9-13(23-15)14(21)20-16-19-8-12(24-16)11-4-6-17-7-5-11/h8-11,17H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120998289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).