(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone

C12H11NOS — CID 114877477

IUPAC(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2cnccc2C)cs1
InChIInChI=1S/C12H11NOS/c1-8-3-4-13-6-11(8)12(14)10-5-9(2)15-7-10/h3-7H,1-2H3
InChIKeyDUAXHFUYSHZHQU-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.99
Rot. Bonds2

About (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone

(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 114877477) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
PubChem CID114877477
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2cnccc2C)cs1
InChIInChI=1S/C12H11NOS/c1-8-3-4-13-6-11(8)12(14)10-5-9(2)15-7-10/h3-7H,1-2H3
InChIKeyDUAXHFUYSHZHQU-UHFFFAOYSA-N
XLogP2.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
(6-bromonaphthalen-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 115781346
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone
CID 116601966
(3-ethylphenyl)-(4-methyl-3-pyridinyl)methanone
CID 114877566
(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976064
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
CID 107288338
1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
CID 58514854
(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
4-methylpyridine-3-carbonyl chloride
CID 22386188
(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
CID 114976095

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone (CID 114877477) is (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2cnccc2C)cs1.
What is the InChIKey of (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is DUAXHFUYSHZHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-3-4-13-6-11(8)12(14)10-5-9(2)15-7-10/h3-7H,1-2H3.
What are the key properties of (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone?
(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 217.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114877477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).