2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol

C16H15NOS2 — CID 134962419

IUPAC2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol
SMILESCC(C)Sc1ccnc2c(O)c(-c3ccccc3)sc12
InChIInChI=1S/C16H15NOS2/c1-10(2)19-12-8-9-17-13-14(18)15(20-16(12)13)11-6-4-3-5-7-11/h3-10,18H,1-2H3
InChIKeyBKCDNKBGGWLDAG-UHFFFAOYSA-N
MW301.44 g/mol
LogP5.17
Rot. Bonds3

About 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol

2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol (PubChem CID 134962419) has the molecular formula C16H15NOS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol.

Molecular Properties

Compound Name2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol
PubChem CID134962419
Molecular FormulaC16H15NOS2
Molecular Weight301.44 g/mol
Exact Mass301.06
IUPAC Name2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol
SMILESCC(C)Sc1ccnc2c(O)c(-c3ccccc3)sc12
InChIInChI=1S/C16H15NOS2/c1-10(2)19-12-8-9-17-13-14(18)15(20-16(12)13)11-6-4-3-5-7-11/h3-10,18H,1-2H3
InChIKeyBKCDNKBGGWLDAG-UHFFFAOYSA-N
XLogP5.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(pyridin-4-ylmethylamino)methylidene]-1-benzothiophen-3-one
CID 658869
7-Thieno(3,4-c)pyridinol, 6-methyl-
CID 121168
Thieno(3,4-c)pyridin-7-ol, 6-methyl-, hydrochloride
CID 3056925
3-(2-Thiophen-2-yl-4-pyridinyl)phenol
CID 46887578
4-[Pyridin-2-yl(thiophen-2-yl)methyl]phenol
CID 162651065
2-Phenyl-7-[4-(trifluoromethyl)anilino]thieno[3,2-b]pyridin-3-ol
CID 134962417
7-(4-Fluorophenoxy)-2-phenylthieno[3,2-b]pyridin-3-ol
CID 134962420
Thieno[3,2-b]pyridin-3-ol
CID 22090624
4-(4-Fluorophenyl)thieno[3,2-c]pyridin-7-ol
CID 141154695
7-(4-Fluorophenyl)thieno[2,3-c]pyridin-4-ol
CID 141154696
3-(4-Fluorophenyl)thieno[3,2-c]pyridin-7-ol
CID 141186441
3-(4-Fluorophenyl)thieno[2,3-c]pyridin-4-ol
CID 149726595

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol?
The IUPAC name of 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol (CID 134962419) is 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol.
What is the SMILES notation for 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol?
The canonical SMILES for 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol is CC(C)Sc1ccnc2c(O)c(-c3ccccc3)sc12.
What is the InChIKey of 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol?
The InChIKey is BKCDNKBGGWLDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS2/c1-10(2)19-12-8-9-17-13-14(18)15(20-16(12)13)11-6-4-3-5-7-11/h3-10,18H,1-2H3.
What are the key properties of 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol?
2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol has a molecular weight of 301.44 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-propan-2-ylsulfanylthieno[3,2-b]pyridin-3-ol is sourced from PubChem (CID 134962419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).