4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol

C15H12N6OS — CID 51141746

IUPAC4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H12N6OS/c22-13-6-4-12(5-7-13)21-15(17-18-19-21)23-10-11-9-20-8-2-1-3-14(20)16-11/h1-9,22H,10H2
InChIKeyOPRDVHCBZTUGSI-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.31
Rot. Bonds4

About 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol

4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol (PubChem CID 51141746) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
PubChem CID51141746
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC Name4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C15H12N6OS/c22-13-6-4-12(5-7-13)21-15(17-18-19-21)23-10-11-9-20-8-2-1-3-14(20)16-11/h1-9,22H,10H2
InChIKeyOPRDVHCBZTUGSI-UHFFFAOYSA-N
XLogP2.31
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40663459
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 115622324
4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 24666683
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
3-tert-butyl-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 78762686
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 60652367
3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 112779520
N-[4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825410

Frequently Asked Questions

What is the IUPAC name of 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol (CID 51141746) is 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol?
The InChIKey is OPRDVHCBZTUGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c22-13-6-4-12(5-7-13)21-15(17-18-19-21)23-10-11-9-20-8-2-1-3-14(20)16-11/h1-9,22H,10H2.
What are the key properties of 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol?
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol has a molecular weight of 324.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 51141746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).