(5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone

C13H8ClN3OS — CID 165351345

IUPAC(5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)sc2ncncc12
InChIInChI=1S/C13H8ClN3OS/c14-8-3-1-7(2-4-8)11(18)12-10(15)9-5-16-6-17-13(9)19-12/h1-6H,15H2
InChIKeyYSMACAOBSQBKDQ-UHFFFAOYSA-N
MW289.75 g/mol
LogP3.16
Rot. Bonds2

About (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone

(5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone (PubChem CID 165351345) has the molecular formula C13H8ClN3OS and a molecular weight of 289.75 g/mol. Its IUPAC name is (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone
PubChem CID165351345
Molecular FormulaC13H8ClN3OS
Molecular Weight289.75 g/mol
Exact Mass289.01
IUPAC Name(5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)sc2ncncc12
InChIInChI=1S/C13H8ClN3OS/c14-8-3-1-7(2-4-8)11(18)12-10(15)9-5-16-6-17-13(9)19-12/h1-6H,15H2
InChIKeyYSMACAOBSQBKDQ-UHFFFAOYSA-N
XLogP3.16
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone (CID 165351345) is (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2)sc2ncncc12.
What is the InChIKey of (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone?
The InChIKey is YSMACAOBSQBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3OS/c14-8-3-1-7(2-4-8)11(18)12-10(15)9-5-16-6-17-13(9)19-12/h1-6H,15H2.
What are the key properties of (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone?
(5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone has a molecular weight of 289.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothieno[2,3-d]pyrimidin-6-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 165351345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).