2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one

C10H11NOS — CID 59191783

IUPAC2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCC(C)c1cc2c(=O)[nH]ccc2s1
InChIInChI=1S/C10H11NOS/c1-6(2)9-5-7-8(13-9)3-4-11-10(7)12/h3-6H,1-2H3,(H,11,12)
InChIKeyRLPTZESBLBLBFH-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.71
Rot. Bonds1

About 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one

2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 59191783) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID59191783
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESCC(C)c1cc2c(=O)[nH]ccc2s1
InChIInChI=1S/C10H11NOS/c1-6(2)9-5-7-8(13-9)3-4-11-10(7)12/h3-6H,1-2H3,(H,11,12)
InChIKeyRLPTZESBLBLBFH-UHFFFAOYSA-N
XLogP2.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one (CID 59191783) is 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one is CC(C)c1cc2c(=O)[nH]ccc2s1.
What is the InChIKey of 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is RLPTZESBLBLBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6(2)9-5-7-8(13-9)3-4-11-10(7)12/h3-6H,1-2H3,(H,11,12).
What are the key properties of 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one?
2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 193.27 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 59191783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).