[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate

C18H12N4O3S — CID 118690816

IUPAC[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C18H12N4O3S/c19-18(24)25-14-9-10(4-6-20-14)15-16-13(5-7-26-16)21-17(22-15)11-2-1-3-12(23)8-11/h1-9,23H,(H2,19,24)
InChIKeyWAHBDHOHCTYNLJ-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.58
Rot. Bonds3

About [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate

[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate (PubChem CID 118690816) has the molecular formula C18H12N4O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate
PubChem CID118690816
Molecular FormulaC18H12N4O3S
Molecular Weight364.39 g/mol
Exact Mass364.06
IUPAC Name[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C18H12N4O3S/c19-18(24)25-14-9-10(4-6-20-14)15-16-13(5-7-26-16)21-17(22-15)11-2-1-3-12(23)8-11/h1-9,23H,(H2,19,24)
InChIKeyWAHBDHOHCTYNLJ-UHFFFAOYSA-N
XLogP3.58
TPSA111.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate?
The IUPAC name of [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate (CID 118690816) is [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate.
What is the SMILES notation for [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate?
The canonical SMILES for [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate is NC(=O)Oc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1.
What is the InChIKey of [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate?
The InChIKey is WAHBDHOHCTYNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3S/c19-18(24)25-14-9-10(4-6-20-14)15-16-13(5-7-26-16)21-17(22-15)11-2-1-3-12(23)8-11/h1-9,23H,(H2,19,24).
What are the key properties of [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate?
[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate has a molecular weight of 364.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate is sourced from PubChem (CID 118690816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).