ethane;3-(5-methylthiophen-3-yl)pyridine

C14H21NS — CID 143670702

IUPACethane;3-(5-methylthiophen-3-yl)pyridine
SMILESCC.CC.Cc1cc(-c2cccnc2)cs1
InChIInChI=1S/C10H9NS.2C2H6/c1-8-5-10(7-12-8)9-3-2-4-11-6-9;2*1-2/h2-7H,1H3;2*1-2H3
InChIKeySWHWVGMUDRZMGY-UHFFFAOYSA-N
MW235.40 g/mol
LogP5.17
Rot. Bonds1

About ethane;3-(5-methylthiophen-3-yl)pyridine

ethane;3-(5-methylthiophen-3-yl)pyridine (PubChem CID 143670702) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is ethane;3-(5-methylthiophen-3-yl)pyridine.

Molecular Properties

Compound Nameethane;3-(5-methylthiophen-3-yl)pyridine
PubChem CID143670702
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Nameethane;3-(5-methylthiophen-3-yl)pyridine
SMILESCC.CC.Cc1cc(-c2cccnc2)cs1
InChIInChI=1S/C10H9NS.2C2H6/c1-8-5-10(7-12-8)9-3-2-4-11-6-9;2*1-2/h2-7H,1H3;2*1-2H3
InChIKeySWHWVGMUDRZMGY-UHFFFAOYSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]thiophen-3-yl]pyridine
CID 118871314
3-(5-butylthiophen-3-yl)pyridine
CID 66814016
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
cyclopenta[c]azepine
CID 638010
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
CID 130309277
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-azulen-6-ylpyridine
CID 86232079
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
3-(4-bromothiophen-2-yl)pyridine
CID 22180781
3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822

Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-methylthiophen-3-yl)pyridine?
The IUPAC name of ethane;3-(5-methylthiophen-3-yl)pyridine (CID 143670702) is ethane;3-(5-methylthiophen-3-yl)pyridine.
What is the SMILES notation for ethane;3-(5-methylthiophen-3-yl)pyridine?
The canonical SMILES for ethane;3-(5-methylthiophen-3-yl)pyridine is CC.CC.Cc1cc(-c2cccnc2)cs1.
What is the InChIKey of ethane;3-(5-methylthiophen-3-yl)pyridine?
The InChIKey is SWHWVGMUDRZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS.2C2H6/c1-8-5-10(7-12-8)9-3-2-4-11-6-9;2*1-2/h2-7H,1H3;2*1-2H3.
What are the key properties of ethane;3-(5-methylthiophen-3-yl)pyridine?
ethane;3-(5-methylthiophen-3-yl)pyridine has a molecular weight of 235.40 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-methylthiophen-3-yl)pyridine is sourced from PubChem (CID 143670702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).