[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol

C14H18N2O2S — CID 122150172

IUPAC[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2ccnc3ccsc23)CCOCC1
InChIInChI=1S/C14H18N2O2S/c17-10-14(3-6-18-7-4-14)9-16-11-1-5-15-12-2-8-19-13(11)12/h1-2,5,8,17H,3-4,6-7,9-10H2,(H,15,16)
InChIKeyBCJLUUQLVANNJO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.50
Rot. Bonds4

About [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol

[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol (PubChem CID 122150172) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol
PubChem CID122150172
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol
SMILESOCC1(CNc2ccnc3ccsc23)CCOCC1
InChIInChI=1S/C14H18N2O2S/c17-10-14(3-6-18-7-4-14)9-16-11-1-5-15-12-2-8-19-13(11)12/h1-2,5,8,17H,3-4,6-7,9-10H2,(H,15,16)
InChIKeyBCJLUUQLVANNJO-UHFFFAOYSA-N
XLogP2.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol (CID 122150172) is [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol is OCC1(CNc2ccnc3ccsc23)CCOCC1.
What is the InChIKey of [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol?
The InChIKey is BCJLUUQLVANNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-10-14(3-6-18-7-4-14)9-16-11-1-5-15-12-2-8-19-13(11)12/h1-2,5,8,17H,3-4,6-7,9-10H2,(H,15,16).
What are the key properties of [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol?
[4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol has a molecular weight of 278.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 122150172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).