(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone

C17H15BrN2OS — CID 23744196

IUPAC(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
SMILESCC(C)c1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1
InChIInChI=1S/C17H15BrN2OS/c1-9(2)13-8-7-12-14(19)16(22-17(12)20-13)15(21)10-3-5-11(18)6-4-10/h3-9H,19H2,1-2H3
InChIKeyGVPOFFKERSIYEY-UHFFFAOYSA-N
MW375.29 g/mol
LogP5.00
Rot. Bonds3

About (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone

(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone (PubChem CID 23744196) has the molecular formula C17H15BrN2OS and a molecular weight of 375.29 g/mol. Its IUPAC name is (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
PubChem CID23744196
Molecular FormulaC17H15BrN2OS
Molecular Weight375.29 g/mol
Exact Mass374.01
IUPAC Name(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
SMILESCC(C)c1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1
InChIInChI=1S/C17H15BrN2OS/c1-9(2)13-8-7-12-14(19)16(22-17(12)20-13)15(21)10-3-5-11(18)6-4-10/h3-9H,19H2,1-2H3
InChIKeyGVPOFFKERSIYEY-UHFFFAOYSA-N
XLogP5.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The IUPAC name of (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone (CID 23744196) is (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone is CC(C)c1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1.
What is the InChIKey of (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The InChIKey is GVPOFFKERSIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2OS/c1-9(2)13-8-7-12-14(19)16(22-17(12)20-13)15(21)10-3-5-11(18)6-4-10/h3-9H,19H2,1-2H3.
What are the key properties of (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone has a molecular weight of 375.29 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 23744196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).