2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

C9H9N5O2S — CID 713732

IUPAC2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1cccc(O)c1
InChIInChI=1S/C9H9N5O2S/c10-8(16)5-17-9-11-12-13-14(9)6-2-1-3-7(15)4-6/h1-4,15H,5H2,(H2,10,16)
InChIKeyZDGUCQVTNKJVIS-UHFFFAOYSA-N
MW251.27 g/mol
LogP-0.05
Rot. Bonds4

About 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide

2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 713732) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID713732
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1cccc(O)c1
InChIInChI=1S/C9H9N5O2S/c10-8(16)5-17-9-11-12-13-14(9)6-2-1-3-7(15)4-6/h1-4,15H,5H2,(H2,10,16)
InChIKeyZDGUCQVTNKJVIS-UHFFFAOYSA-N
XLogP-0.05
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-{[1-(3-hydroxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1249466
N-(4-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075026
2-[1-(4-Ethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(3-hydroxy-phenyl)-acetamide
CID 1172285
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 753223
3-[5-[(2-Fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 949809
m-(5-(Methylthio)-1H-tetrazol-1-yl)phenol
CID 713737
4-[5-[[6-(Hydroxymethyl)dithiin-3-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 462643
N-(3-Hydroxy-phenyl)-2-[1-(4-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1073203
N-(2-fluorophenyl)-2-{[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 6491225
N-(3-methoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555657
Cambridge id 5968107
CID 773316
4-(5-Prop-2-enylsulfanyltetrazol-1-yl)phenol
CID 2801423

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 713732) is 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is NC(=O)CSc1nnnn1-c1cccc(O)c1.
What is the InChIKey of 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is ZDGUCQVTNKJVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c10-8(16)5-17-9-11-12-13-14(9)6-2-1-3-7(15)4-6/h1-4,15H,5H2,(H2,10,16).
What are the key properties of 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 251.27 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 713732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).