3-bromo-2-methylthieno[3,2-c]pyridin-4-amine

C8H7BrN2S — CID 18450770

IUPAC3-bromo-2-methylthieno[3,2-c]pyridin-4-amine
SMILESCc1sc2ccnc(N)c2c1Br
InChIInChI=1S/C8H7BrN2S/c1-4-7(9)6-5(12-4)2-3-11-8(6)10/h2-3H,1H3,(H2,10,11)
InChIKeyVXTRJJQDKWFXIF-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.95
Rot. Bonds

About 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine

3-bromo-2-methylthieno[3,2-c]pyridin-4-amine (PubChem CID 18450770) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-2-methylthieno[3,2-c]pyridin-4-amine
PubChem CID18450770
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name3-bromo-2-methylthieno[3,2-c]pyridin-4-amine
SMILESCc1sc2ccnc(N)c2c1Br
InChIInChI=1S/C8H7BrN2S/c1-4-7(9)6-5(12-4)2-3-11-8(6)10/h2-3H,1H3,(H2,10,11)
InChIKeyVXTRJJQDKWFXIF-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine (CID 18450770) is 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine is Cc1sc2ccnc(N)c2c1Br.
What is the InChIKey of 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine?
The InChIKey is VXTRJJQDKWFXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c1-4-7(9)6-5(12-4)2-3-11-8(6)10/h2-3H,1H3,(H2,10,11).
What are the key properties of 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine?
3-bromo-2-methylthieno[3,2-c]pyridin-4-amine has a molecular weight of 243.13 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 18450770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).