7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one

C17H10N6O2S2 — CID 44825284

IUPAC7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one
SMILESCn1nnnc1Sc1ncnc2scc(-c3ccc4c(=O)ccoc4c3)c12
InChIInChI=1S/C17H10N6O2S2/c1-23-17(20-21-22-23)27-16-14-11(7-26-15(14)18-8-19-16)9-2-3-10-12(24)4-5-25-13(10)6-9/h2-8H,1H3
InChIKeyQQQUBGHUBGEPBN-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.14
Rot. Bonds3

About 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one

7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one (PubChem CID 44825284) has the molecular formula C17H10N6O2S2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one.

Molecular Properties

Compound Name7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one
PubChem CID44825284
Molecular FormulaC17H10N6O2S2
Molecular Weight394.44 g/mol
Exact Mass394.03
IUPAC Name7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one
SMILESCn1nnnc1Sc1ncnc2scc(-c3ccc4c(=O)ccoc4c3)c12
InChIInChI=1S/C17H10N6O2S2/c1-23-17(20-21-22-23)27-16-14-11(7-26-15(14)18-8-19-16)9-2-3-10-12(24)4-5-25-13(10)6-9/h2-8H,1H3
InChIKeyQQQUBGHUBGEPBN-UHFFFAOYSA-N
XLogP3.14
TPSA99.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one?
The IUPAC name of 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one (CID 44825284) is 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one.
What is the SMILES notation for 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one?
The canonical SMILES for 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one is Cn1nnnc1Sc1ncnc2scc(-c3ccc4c(=O)ccoc4c3)c12.
What is the InChIKey of 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one?
The InChIKey is QQQUBGHUBGEPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N6O2S2/c1-23-17(20-21-22-23)27-16-14-11(7-26-15(14)18-8-19-16)9-2-3-10-12(24)4-5-25-13(10)6-9/h2-8H,1H3.
What are the key properties of 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one?
7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one has a molecular weight of 394.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-methyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidin-5-yl]chromen-4-one is sourced from PubChem (CID 44825284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).