[4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol

C21H15N5O2S — CID 44580231

IUPAC[4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C21H15N5O2S/c27-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)28-18-10-22-11-20-17(18)9-19(29-20)21-23-25-26-24-21/h1-11,27H,12H2,(H,23,24,25,26)
InChIKeyDTTAJUIKFSBXFJ-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.43
Rot. Bonds5

About [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol

[4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol (PubChem CID 44580231) has the molecular formula C21H15N5O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol
PubChem CID44580231
Molecular FormulaC21H15N5O2S
Molecular Weight401.45 g/mol
Exact Mass401.09
IUPAC Name[4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C21H15N5O2S/c27-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)28-18-10-22-11-20-17(18)9-19(29-20)21-23-25-26-24-21/h1-11,27H,12H2,(H,23,24,25,26)
InChIKeyDTTAJUIKFSBXFJ-UHFFFAOYSA-N
XLogP4.43
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol?
The IUPAC name of [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol (CID 44580231) is [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol?
The canonical SMILES for [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol is OCc1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1.
What is the InChIKey of [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol?
The InChIKey is DTTAJUIKFSBXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S/c27-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)28-18-10-22-11-20-17(18)9-19(29-20)21-23-25-26-24-21/h1-11,27H,12H2,(H,23,24,25,26).
What are the key properties of [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol?
[4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol has a molecular weight of 401.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol is sourced from PubChem (CID 44580231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).