(2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol

C11H13BrN2O2S — CID 126829718

IUPAC(2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNc1nccc2c(Br)csc12
InChIInChI=1S/C11H13BrN2O2S/c1-16-5-7(15)4-14-11-10-8(2-3-13-11)9(12)6-17-10/h2-3,6-7,15H,4-5H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyIBVDBVPQLMUOBR-SSDOTTSWSA-N
MW317.21 g/mol
LogP2.48
Rot. Bonds5

About (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol

(2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol (PubChem CID 126829718) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol
PubChem CID126829718
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name(2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNc1nccc2c(Br)csc12
InChIInChI=1S/C11H13BrN2O2S/c1-16-5-7(15)4-14-11-10-8(2-3-13-11)9(12)6-17-10/h2-3,6-7,15H,4-5H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyIBVDBVPQLMUOBR-SSDOTTSWSA-N
XLogP2.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol (CID 126829718) is (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol is COC[C@H](O)CNc1nccc2c(Br)csc12.
What is the InChIKey of (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is IBVDBVPQLMUOBR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-16-5-7(15)4-14-11-10-8(2-3-13-11)9(12)6-17-10/h2-3,6-7,15H,4-5H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol?
(2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol has a molecular weight of 317.21 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-bromothieno[2,3-c]pyridin-7-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 126829718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).