N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C13H14N8OS — CID 131914850

IUPACN-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnnn1-c1cccc(NC(=O)CSc2nncn2C)c1
InChIInChI=1S/C13H14N8OS/c1-9-16-18-19-21(9)11-5-3-4-10(6-11)15-12(22)7-23-13-17-14-8-20(13)2/h3-6,8H,7H2,1-2H3,(H,15,22)
InChIKeyPHOHEYJHDKJTEZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.83
Rot. Bonds5

About N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 131914850) has the molecular formula C13H14N8OS and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID131914850
Molecular FormulaC13H14N8OS
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC NameN-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnnn1-c1cccc(NC(=O)CSc2nncn2C)c1
InChIInChI=1S/C13H14N8OS/c1-9-16-18-19-21(9)11-5-3-4-10(6-11)15-12(22)7-23-13-17-14-8-20(13)2/h3-6,8H,7H2,1-2H3,(H,15,22)
InChIKeyPHOHEYJHDKJTEZ-UHFFFAOYSA-N
XLogP0.83
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 2385860
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648706
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
N-benzhydryl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 39677159
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 55535836
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 55571388
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 705246

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 131914850) is N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nnnn1-c1cccc(NC(=O)CSc2nncn2C)c1.
What is the InChIKey of N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is PHOHEYJHDKJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8OS/c1-9-16-18-19-21(9)11-5-3-4-10(6-11)15-12(22)7-23-13-17-14-8-20(13)2/h3-6,8H,7H2,1-2H3,(H,15,22).
What are the key properties of N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 330.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 131914850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).