(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone

C17H16N2O3S — CID 3141330

IUPAC(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(C)ccc3c2N)cc1OC
InChIInChI=1S/C17H16N2O3S/c1-9-4-6-11-14(18)16(23-17(11)19-9)15(20)10-5-7-12(21-2)13(8-10)22-3/h4-8H,18H2,1-3H3
InChIKeyFSGYOGWODNMGAT-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.44
Rot. Bonds4

About (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone

(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 3141330) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
PubChem CID3141330
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(C)ccc3c2N)cc1OC
InChIInChI=1S/C17H16N2O3S/c1-9-4-6-11-14(18)16(23-17(11)19-9)15(20)10-5-7-12(21-2)13(8-10)22-3/h4-8H,18H2,1-3H3
InChIKeyFSGYOGWODNMGAT-UHFFFAOYSA-N
XLogP3.44
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone (CID 3141330) is (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2sc3nc(C)ccc3c2N)cc1OC.
What is the InChIKey of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is FSGYOGWODNMGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-9-4-6-11-14(18)16(23-17(11)19-9)15(20)10-5-7-12(21-2)13(8-10)22-3/h4-8H,18H2,1-3H3.
What are the key properties of (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone?
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 328.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 3141330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).