(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone

C14H15NO2S — CID 115794116

IUPAC(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc(C)s2)c1
InChIInChI=1S/C14H15NO2S/c1-3-6-17-12-7-11(8-15-9-12)14(16)13-5-4-10(2)18-13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyYMQDHZMVOVRAKN-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.47
Rot. Bonds5

About (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone

(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 115794116) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID115794116
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc(C)s2)c1
InChIInChI=1S/C14H15NO2S/c1-3-6-17-12-7-11(8-15-9-12)14(16)13-5-4-10(2)18-13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyYMQDHZMVOVRAKN-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793463
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115793950
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone (CID 115794116) is (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2ccc(C)s2)c1.
What is the InChIKey of (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is YMQDHZMVOVRAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-6-17-12-7-11(8-15-9-12)14(16)13-5-4-10(2)18-13/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone?
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 261.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115794116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).