[3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol

C12H14N2O2S — CID 133399177

IUPAC[3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol
SMILESOCC1(CNc2ccnc3ccsc23)COC1
InChIInChI=1S/C12H14N2O2S/c15-6-12(7-16-8-12)5-14-9-1-3-13-10-2-4-17-11(9)10/h1-4,15H,5-8H2,(H,13,14)
InChIKeyPTTFHONPCBPXOE-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.72
Rot. Bonds4

About [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol

[3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol (PubChem CID 133399177) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol
PubChem CID133399177
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name[3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol
SMILESOCC1(CNc2ccnc3ccsc23)COC1
InChIInChI=1S/C12H14N2O2S/c15-6-12(7-16-8-12)5-14-9-1-3-13-10-2-4-17-11(9)10/h1-4,15H,5-8H2,(H,13,14)
InChIKeyPTTFHONPCBPXOE-UHFFFAOYSA-N
XLogP1.72
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol (CID 133399177) is [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol is OCC1(CNc2ccnc3ccsc23)COC1.
What is the InChIKey of [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is PTTFHONPCBPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-6-12(7-16-8-12)5-14-9-1-3-13-10-2-4-17-11(9)10/h1-4,15H,5-8H2,(H,13,14).
What are the key properties of [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol?
[3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 250.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 133399177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).