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

C21H24N2OS — CID 5037870

IUPAC(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCCc1c(C)nc2sc(C(=O)c3cc(C)c(C)cc3C)c(N)c2c1C
InChIInChI=1S/C21H24N2OS/c1-7-15-13(5)17-18(22)20(25-21(17)23-14(15)6)19(24)16-9-11(3)10(2)8-12(16)4/h8-9H,7,22H2,1-6H3
InChIKeyQDTSHXKWSVSZMS-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.21
Rot. Bonds3

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

(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 5037870) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID5037870
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCCc1c(C)nc2sc(C(=O)c3cc(C)c(C)cc3C)c(N)c2c1C
InChIInChI=1S/C21H24N2OS/c1-7-15-13(5)17-18(22)20(25-21(17)23-14(15)6)19(24)16-9-11(3)10(2)8-12(16)4/h8-9H,7,22H2,1-6H3
InChIKeyQDTSHXKWSVSZMS-UHFFFAOYSA-N
XLogP5.21
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone with MolForge

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Related Compounds

2-(3-amino-2-benzoyl-4,6-dimethylthieno[2,3-b]pyridin-5-yl)-1-(4-bromophenyl)ethanone
CID 4265083
2-[3-amino-2-(4-chlorobenzoyl)-4,6-dimethylthieno[2,3-b]pyridin-5-yl]-1-(4-bromophenyl)ethanone
CID 23856806
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1284247
3-amino-5-ethyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 58318955
3,6-diamino-4-(4-ethoxyphenyl)-2-(2,4,5-trimethylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 3360132
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile
CID 3689734
[3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 5136586
3-amino-5-[(2-fluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 84612867
(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone
CID 1385603
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059135
5-ethyl-4,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-b]pyridin-3-amine
CID 143185757
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;5-ethyl-4,6-dimethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methane;5-phenyl-2H-tetrazole
CID 161195276

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone (CID 5037870) is (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone is CCc1c(C)nc2sc(C(=O)c3cc(C)c(C)cc3C)c(N)c2c1C.
What is the InChIKey of (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is QDTSHXKWSVSZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-7-15-13(5)17-18(22)20(25-21(17)23-14(15)6)19(24)16-9-11(3)10(2)8-12(16)4/h8-9H,7,22H2,1-6H3.
What are the key properties of (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone?
(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 352.50 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 5037870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).