2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine

C14H7ClN2OS — CID 55181045

IUPAC2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(-c2cc3ccccc3o2)nc2sccc12
InChIInChI=1S/C14H7ClN2OS/c15-12-9-5-6-19-14(9)17-13(16-12)11-7-8-3-1-2-4-10(8)18-11/h1-7H
InChIKeyATMDPBCKAQTMRC-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.76
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine

2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine (PubChem CID 55181045) has the molecular formula C14H7ClN2OS and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
PubChem CID55181045
Molecular FormulaC14H7ClN2OS
Molecular Weight286.74 g/mol
Exact Mass286.00
IUPAC Name2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(-c2cc3ccccc3o2)nc2sccc12
InChIInChI=1S/C14H7ClN2OS/c15-12-9-5-6-19-14(9)17-13(16-12)11-7-8-3-1-2-4-10(8)18-11/h1-7H
InChIKeyATMDPBCKAQTMRC-UHFFFAOYSA-N
XLogP4.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine (CID 55181045) is 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine is Clc1nc(-c2cc3ccccc3o2)nc2sccc12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine?
The InChIKey is ATMDPBCKAQTMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2OS/c15-12-9-5-6-19-14(9)17-13(16-12)11-7-8-3-1-2-4-10(8)18-11/h1-7H.
What are the key properties of 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine?
2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine has a molecular weight of 286.74 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 55181045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).