1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one

C12H11NOS — CID 10798828

IUPAC1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one
SMILESCCC(=O)c1ccsc1-c1ccccn1
InChIInChI=1S/C12H11NOS/c1-2-11(14)9-6-8-15-12(9)10-5-3-4-7-13-10/h3-8H,2H2,1H3
InChIKeyDHYMLHKANDZDTR-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.40
Rot. Bonds3

About 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one

1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one (PubChem CID 10798828) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one
PubChem CID10798828
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one
SMILESCCC(=O)c1ccsc1-c1ccccn1
InChIInChI=1S/C12H11NOS/c1-2-11(14)9-6-8-15-12(9)10-5-3-4-7-13-10/h3-8H,2H2,1H3
InChIKeyDHYMLHKANDZDTR-UHFFFAOYSA-N
XLogP3.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Y 29794
CID 195609
1-Phenyl-3-{[5-(trifluoromethyl)-2-pyridyl]thio}prop-2-en-1-one
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N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
N-hydroxy-5-(pyridin-3-yl)thiophene-2-carboxamide
CID 44418106
N-hydroxy-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 44418125
4-oxo-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 2565676
N-[[3-keto-3-(2-thienyl)-1-(trifluoromethyl)propylidene]amino]isonicotinamide
CID 9662919
5-ethyl-N'-[(E)-pyridin-4-ylmethylidene]thiophene-2-carbohydrazide
CID 25237223
3-methyl-N'-[(1E)-1-(pyridin-3-yl)ethylidene]thiophene-2-carbohydrazide
CID 25237301
5-methyl-N'-[(1Z)-1-(pyridin-4-yl)ethylidene]thiophene-2-carbohydrazide
CID 25237461

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one?
The IUPAC name of 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one (CID 10798828) is 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one?
The canonical SMILES for 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one is CCC(=O)c1ccsc1-c1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one?
The InChIKey is DHYMLHKANDZDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-2-11(14)9-6-8-15-12(9)10-5-3-4-7-13-10/h3-8H,2H2,1H3.
What are the key properties of 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one?
1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one has a molecular weight of 217.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylthiophen-3-yl)propan-1-one is sourced from PubChem (CID 10798828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).