thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone

C17H15NOS — CID 81147088

IUPACthieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cnc3ccsc3c2)cc1C
InChIInChI=1S/C17H15NOS/c1-10-6-12(3)14(7-11(10)2)17(19)13-8-16-15(18-9-13)4-5-20-16/h4-9H,1-3H3
InChIKeyPQNAULOSZPNDEV-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.45
Rot. Bonds2

About thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone

thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone (PubChem CID 81147088) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Namethieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone
PubChem CID81147088
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Namethieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cnc3ccsc3c2)cc1C
InChIInChI=1S/C17H15NOS/c1-10-6-12(3)14(7-11(10)2)17(19)13-8-16-15(18-9-13)4-5-20-16/h4-9H,1-3H3
InChIKeyPQNAULOSZPNDEV-UHFFFAOYSA-N
XLogP4.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 81148407
phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
(2,3-difluorophenyl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 81148270
naphthalen-2-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81153173
pyridin-3-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81144115
2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81148519
(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone
CID 104515035
2,3-dihydro-1,4-benzodioxin-6-yl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81154316
1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
CID 81147974
1-thieno[3,2-b]pyridin-6-ylhexan-1-one
CID 81148126
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677

Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone (CID 81147088) is thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cnc3ccsc3c2)cc1C.
What is the InChIKey of thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone?
The InChIKey is PQNAULOSZPNDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-10-6-12(3)14(7-11(10)2)17(19)13-8-16-15(18-9-13)4-5-20-16/h4-9H,1-3H3.
What are the key properties of thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone?
thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone has a molecular weight of 281.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 81147088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).