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

C16H14BrN3OS — CID 2882956

IUPAC[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone
SMILESCN(C)c1ccnc2sc(C(=O)c3ccc(Br)cc3)c(N)c12
InChIInChI=1S/C16H14BrN3OS/c1-20(2)11-7-8-19-16-12(11)13(18)15(22-16)14(21)9-3-5-10(17)6-4-9/h3-8H,18H2,1-2H3
InChIKeyVRRLWVYEQOEWKV-UHFFFAOYSA-N
MW376.28 g/mol
LogP3.94
Rot. Bonds3

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

[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone (PubChem CID 2882956) has the molecular formula C16H14BrN3OS and a molecular weight of 376.28 g/mol. Its IUPAC name is [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone
PubChem CID2882956
Molecular FormulaC16H14BrN3OS
Molecular Weight376.28 g/mol
Exact Mass375.00
IUPAC Name[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone
SMILESCN(C)c1ccnc2sc(C(=O)c3ccc(Br)cc3)c(N)c12
InChIInChI=1S/C16H14BrN3OS/c1-20(2)11-7-8-19-16-12(11)13(18)15(22-16)14(21)9-3-5-10(17)6-4-9/h3-8H,18H2,1-2H3
InChIKeyVRRLWVYEQOEWKV-UHFFFAOYSA-N
XLogP3.94
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 53.94
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]-(4-bromophenyl)methanone?
The IUPAC name of [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone (CID 2882956) is [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone.
What is the SMILES notation for [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone?
The canonical SMILES for [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone is CN(C)c1ccnc2sc(C(=O)c3ccc(Br)cc3)c(N)c12.
What is the InChIKey of [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone?
The InChIKey is VRRLWVYEQOEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3OS/c1-20(2)11-7-8-19-16-12(11)13(18)15(22-16)14(21)9-3-5-10(17)6-4-9/h3-8H,18H2,1-2H3.
What are the key properties of [3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone?
[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]-(4-bromophenyl)methanone has a molecular weight of 376.28 g/mol, XLogP of 3.94, 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]-(4-bromophenyl)methanone is sourced from PubChem (CID 2882956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).