2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

C12H15N5OS — CID 857583

IUPAC2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nnnn1-c1cc(C)ccc1C
InChIInChI=1S/C12H15N5OS/c1-8-4-5-9(2)10(6-8)17-12(14-15-16-17)19-7-11(18)13-3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyUUJVAZIMTPQBMJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.12
Rot. Bonds4

About 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide

2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (PubChem CID 857583) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
PubChem CID857583
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nnnn1-c1cc(C)ccc1C
InChIInChI=1S/C12H15N5OS/c1-8-4-5-9(2)10(6-8)17-12(14-15-16-17)19-7-11(18)13-3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyUUJVAZIMTPQBMJ-UHFFFAOYSA-N
XLogP1.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
7-[[[1-(2-Methylphenyl)-5-tetrazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
CID 2446182
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2084670
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2087821
N-(2,5-dimethylphenyl)-2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 2211422
N-(2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2368202
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethylacetamide
CID 2550708
N-Cyclopentyl-2-[1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 3228993
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4422829

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide (CID 857583) is 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is CNC(=O)CSc1nnnn1-c1cc(C)ccc1C.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
The InChIKey is UUJVAZIMTPQBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-4-5-9(2)10(6-8)17-12(14-15-16-17)19-7-11(18)13-3/h4-6H,7H2,1-3H3,(H,13,18).
What are the key properties of 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide?
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide has a molecular weight of 277.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 857583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).