[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone

C16H15N3OS — CID 794365

IUPAC[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESCN(C)c1ccnc2sc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C16H15N3OS/c1-19(2)11-8-9-18-16-12(11)13(17)15(21-16)14(20)10-6-4-3-5-7-10/h3-9H,17H2,1-2H3
InChIKeyHRCCUOJXCGWDAT-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.18
Rot. Bonds3

About [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone

[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone (PubChem CID 794365) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone
PubChem CID794365
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone
SMILESCN(C)c1ccnc2sc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C16H15N3OS/c1-19(2)11-8-9-18-16-12(11)13(17)15(21-16)14(20)10-6-4-3-5-7-10/h3-9H,17H2,1-2H3
InChIKeyHRCCUOJXCGWDAT-UHFFFAOYSA-N
XLogP3.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The IUPAC name of [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone (CID 794365) is [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The canonical SMILES for [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone is CN(C)c1ccnc2sc(C(=O)c3ccccc3)c(N)c12.
What is the InChIKey of [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone?
The InChIKey is HRCCUOJXCGWDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-19(2)11-8-9-18-16-12(11)13(17)15(21-16)14(20)10-6-4-3-5-7-10/h3-9H,17H2,1-2H3.
What are the key properties of [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone?
[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone has a molecular weight of 297.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone is sourced from PubChem (CID 794365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).