5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine

C15H12ClNS — CID 143028655

IUPAC5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine
SMILESCc1cc2nc(Cc3ccc(Cl)cc3)ccc2s1
InChIInChI=1S/C15H12ClNS/c1-10-8-14-15(18-10)7-6-13(17-14)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyIMEMELXWLWSVAK-UHFFFAOYSA-N
MW273.79 g/mol
LogP4.85
Rot. Bonds2

About 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine

5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine (PubChem CID 143028655) has the molecular formula C15H12ClNS and a molecular weight of 273.79 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine
PubChem CID143028655
Molecular FormulaC15H12ClNS
Molecular Weight273.79 g/mol
Exact Mass273.04
IUPAC Name5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine
SMILESCc1cc2nc(Cc3ccc(Cl)cc3)ccc2s1
InChIInChI=1S/C15H12ClNS/c1-10-8-14-15(18-10)7-6-13(17-14)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3
InChIKeyIMEMELXWLWSVAK-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018
4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
CID 121205787
5-chloro-2-methyl-1-benzothiophene
CID 2747689
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
5-chloro-2-methyl-1-benzothiophene;ethane;propane
CID 142538359
1-[4-[(4-chlorophenyl)methyl]pyrimidin-2-yl]propan-2-amine
CID 82666283
5-(chloromethyl)-2-methyl-1,3-benzothiazole
CID 2315866
2-butan-2-yl-5-chloro-1,3-benzothiazole
CID 58291254
5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 121264421
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
2-methyl-5-methylsulfanyloxythieno[3,2-b]pyridine
CID 142832894
6-[(4-chlorophenyl)methyl]pyridin-2-amine
CID 151591234

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine (CID 143028655) is 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine is Cc1cc2nc(Cc3ccc(Cl)cc3)ccc2s1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine?
The InChIKey is IMEMELXWLWSVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS/c1-10-8-14-15(18-10)7-6-13(17-14)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine?
5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine has a molecular weight of 273.79 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 143028655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).