3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C11H13N5OS — CID 42067106

IUPAC3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(-n2nnnc2SCCC(N)=O)cc1
InChIInChI=1S/C11H13N5OS/c1-8-2-4-9(5-3-8)16-11(13-14-15-16)18-7-6-10(12)17/h2-5H,6-7H2,1H3,(H2,12,17)
InChIKeyUZXRPATTZLDLNS-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.94
Rot. Bonds5

About 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 42067106) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID42067106
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(-n2nnnc2SCCC(N)=O)cc1
InChIInChI=1S/C11H13N5OS/c1-8-2-4-9(5-3-8)16-11(13-14-15-16)18-7-6-10(12)17/h2-5H,6-7H2,1H3,(H2,12,17)
InChIKeyUZXRPATTZLDLNS-UHFFFAOYSA-N
XLogP0.94
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615701
5-(2-bromoprop-2-enylsulfanyl)-1-(4-methylphenyl)tetrazole
CID 52727680
1-(2,5-dimethylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615658
1-(2-hydroxy-5-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 18731400
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N,N-diphenylacetamide
CID 3905236
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9407683
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 2615933
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone
CID 17445673
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2615618

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 42067106) is 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1ccc(-n2nnnc2SCCC(N)=O)cc1.
What is the InChIKey of 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is UZXRPATTZLDLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-8-2-4-9(5-3-8)16-11(13-14-15-16)18-7-6-10(12)17/h2-5H,6-7H2,1H3,(H2,12,17).
What are the key properties of 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 263.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 42067106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).