6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine

C16H15BrN2OS — CID 178111008

IUPAC6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine
SMILESCOc1ccc(C)c(Nc2c(Br)cnc3ccsc23)c1C
InChIInChI=1S/C16H15BrN2OS/c1-9-4-5-13(20-3)10(2)14(9)19-15-11(17)8-18-12-6-7-21-16(12)15/h4-8H,1-3H3,(H,18,19)
InChIKeyCXTIHXMHAMUILL-UHFFFAOYSA-N
MW363.28 g/mol
LogP5.43
Rot. Bonds3

About 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine

6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 178111008) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine
PubChem CID178111008
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC Name6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine
SMILESCOc1ccc(C)c(Nc2c(Br)cnc3ccsc23)c1C
InChIInChI=1S/C16H15BrN2OS/c1-9-4-5-13(20-3)10(2)14(9)19-15-11(17)8-18-12-6-7-21-16(12)15/h4-8H,1-3H3,(H,18,19)
InChIKeyCXTIHXMHAMUILL-UHFFFAOYSA-N
XLogP5.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.28
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine (CID 178111008) is 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine is COc1ccc(C)c(Nc2c(Br)cnc3ccsc23)c1C.
What is the InChIKey of 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is CXTIHXMHAMUILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-9-4-5-13(20-3)10(2)14(9)19-15-11(17)8-18-12-6-7-21-16(12)15/h4-8H,1-3H3,(H,18,19).
What are the key properties of 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine?
6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 363.28 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methoxy-2,6-dimethylphenyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 178111008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).