4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine

C18H17N5OS — CID 44580717

IUPAC4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCC(C)(C)c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C18H17N5OS/c1-18(2,3)11-4-6-12(7-5-11)24-14-9-19-10-16-13(14)8-15(25-16)17-20-22-23-21-17/h4-10H,1-3H3,(H,20,21,22,23)
InChIKeyPCRUSTAWVUXCBH-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.57
Rot. Bonds3

About 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine

4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (PubChem CID 44580717) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
PubChem CID44580717
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
SMILESCC(C)(C)c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1
InChIInChI=1S/C18H17N5OS/c1-18(2,3)11-4-6-12(7-5-11)24-14-9-19-10-16-13(14)8-15(25-16)17-20-22-23-21-17/h4-10H,1-3H3,(H,20,21,22,23)
InChIKeyPCRUSTAWVUXCBH-UHFFFAOYSA-N
XLogP4.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-phenylphenoxy)thieno[2,3-c]pyridin-2-yl]-1H-1,2,3,4-tetrazole
CID 25218754
4-(4-iodophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 44580674
4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxybenzonitrile
CID 127048191
4-(4-chlorophenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 18516243
4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide
CID 25101222
2-(2H-tetrazol-5-yl)-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]thieno[2,3-c]pyridine
CID 25211459
4-[4-(2-chlorophenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 44580056
4-[4-(3-chlorophenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 44580057
4-[4-(4-fluorophenyl)phenoxy]-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine
CID 44580058
4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]aniline
CID 44580059
N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide
CID 44580107
[4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]phenyl]methanol
CID 44580231

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The IUPAC name of 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine (CID 44580717) is 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is CC(C)(C)c1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
The InChIKey is PCRUSTAWVUXCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-18(2,3)11-4-6-12(7-5-11)24-14-9-19-10-16-13(14)8-15(25-16)17-20-22-23-21-17/h4-10H,1-3H3,(H,20,21,22,23).
What are the key properties of 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine?
4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine has a molecular weight of 351.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 44580717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).