2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one

C14H15NOS — CID 169026548

IUPAC2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C14H15NOS/c1-14(2,3)13(16)12-8-7-11(17-12)10-6-4-5-9-15-10/h4-9H,1-3H3
InChIKeyATWIFMHGWIZBPW-UHFFFAOYSA-N
MW245.35 g/mol
LogP4.04
Rot. Bonds2

About 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one

2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one (PubChem CID 169026548) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one
PubChem CID169026548
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C14H15NOS/c1-14(2,3)13(16)12-8-7-11(17-12)10-6-4-5-9-15-10/h4-9H,1-3H3
InChIKeyATWIFMHGWIZBPW-UHFFFAOYSA-N
XLogP4.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one (CID 169026548) is 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one is CC(C)(C)C(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one?
The InChIKey is ATWIFMHGWIZBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-14(2,3)13(16)12-8-7-11(17-12)10-6-4-5-9-15-10/h4-9H,1-3H3.
What are the key properties of 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one?
2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one has a molecular weight of 245.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 169026548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).