N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide

C20H25N3O2S2 — CID 53149525

IUPACN-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1)C1CCC1
InChIInChI=1S/C20H25N3O2S2/c24-18(14-3-1-4-14)21-9-6-16-13-27-19(22-16)15-7-10-23(11-8-15)20(25)17-5-2-12-26-17/h2,5,12-15H,1,3-4,6-11H2,(H,21,24)
InChIKeyFZGHNIDZJCQJKG-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.68
Rot. Bonds6

About N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide

N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide (PubChem CID 53149525) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
PubChem CID53149525
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC NameN-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1)C1CCC1
InChIInChI=1S/C20H25N3O2S2/c24-18(14-3-1-4-14)21-9-6-16-13-27-19(22-16)15-7-10-23(11-8-15)20(25)17-5-2-12-26-17/h2,5,12-15H,1,3-4,6-11H2,(H,21,24)
InChIKeyFZGHNIDZJCQJKG-UHFFFAOYSA-N
XLogP3.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide (CID 53149525) is N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide is O=C(NCCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1)C1CCC1.
What is the InChIKey of N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is FZGHNIDZJCQJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c24-18(14-3-1-4-14)21-9-6-16-13-27-19(22-16)15-7-10-23(11-8-15)20(25)17-5-2-12-26-17/h2,5,12-15H,1,3-4,6-11H2,(H,21,24).
What are the key properties of N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 53149525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).