1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

C14H11ClN2OS3 — CID 1312505

IUPAC1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1
InChIInChI=1S/C14H11ClN2OS3/c1-2-8-5-9-13(16-7-17-14(9)20-8)19-6-10(18)11-3-4-12(15)21-11/h3-5,7H,2,6H2,1H3
InChIKeyAHOZKEWCWWHWER-UHFFFAOYSA-N
MW354.91 g/mol
LogP4.94
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone (PubChem CID 1312505) has the molecular formula C14H11ClN2OS3 and a molecular weight of 354.91 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
PubChem CID1312505
Molecular FormulaC14H11ClN2OS3
Molecular Weight354.91 g/mol
Exact Mass353.97
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
SMILESCCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1
InChIInChI=1S/C14H11ClN2OS3/c1-2-8-5-9-13(16-7-17-14(9)20-8)19-6-10(18)11-3-4-12(15)21-11/h3-5,7H,2,6H2,1H3
InChIKeyAHOZKEWCWWHWER-UHFFFAOYSA-N
XLogP4.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.91
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone (CID 1312505) is 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone is CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
The InChIKey is AHOZKEWCWWHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS3/c1-2-8-5-9-13(16-7-17-14(9)20-8)19-6-10(18)11-3-4-12(15)21-11/h3-5,7H,2,6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone?
1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone has a molecular weight of 354.91 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone is sourced from PubChem (CID 1312505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).