(2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol

C10H12N2OS — CID 130653771

IUPAC(2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol
SMILESC[C@@H](O)CNc1ccnc2ccsc12
InChIInChI=1S/C10H12N2OS/c1-7(13)6-12-8-2-4-11-9-3-5-14-10(8)9/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyZCMIIQAEVHUXRA-SSDOTTSWSA-N
MW208.29 g/mol
LogP2.09
Rot. Bonds3

About (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol

(2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol (PubChem CID 130653771) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol
PubChem CID130653771
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol
SMILESC[C@@H](O)CNc1ccnc2ccsc12
InChIInChI=1S/C10H12N2OS/c1-7(13)6-12-8-2-4-11-9-3-5-14-10(8)9/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyZCMIIQAEVHUXRA-SSDOTTSWSA-N
XLogP2.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol (CID 130653771) is (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol is C[C@@H](O)CNc1ccnc2ccsc12.
What is the InChIKey of (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol?
The InChIKey is ZCMIIQAEVHUXRA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7(13)6-12-8-2-4-11-9-3-5-14-10(8)9/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol?
(2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol has a molecular weight of 208.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(thieno[3,2-b]pyridin-7-ylamino)propan-2-ol is sourced from PubChem (CID 130653771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).