3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide

C12H15N5OS — CID 83000151

IUPAC3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
SMILESCCNC(=O)c1ccc(Sc2n[nH]c(C)n2)c(N)c1
InChIInChI=1S/C12H15N5OS/c1-3-14-11(18)8-4-5-10(9(13)6-8)19-12-15-7(2)16-17-12/h4-6H,3,13H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyBRHNBEATYQMJSX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.60
Rot. Bonds4

About 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide

3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide (PubChem CID 83000151) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
PubChem CID83000151
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
SMILESCCNC(=O)c1ccc(Sc2n[nH]c(C)n2)c(N)c1
InChIInChI=1S/C12H15N5OS/c1-3-14-11(18)8-4-5-10(9(13)6-8)19-12-15-7(2)16-17-12/h4-6H,3,13H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyBRHNBEATYQMJSX-UHFFFAOYSA-N
XLogP1.60
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-4-ethylsulfanylbenzamide
CID 83000148
3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide
CID 83000084
5-iodo-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 66080387
N-ethyl-3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 42115923
3-amino-N-ethyl-4-(4-hydroxybutan-2-ylsulfanyl)benzamide
CID 83000510
ethyl 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
CID 56772771
1-[3-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone
CID 62910796
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylbenzamide
CID 106921684
3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 56828521
butyl 5-amino-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 56772867
5-chloro-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 56772716
N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide (CID 83000151) is 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide is CCNC(=O)c1ccc(Sc2n[nH]c(C)n2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The InChIKey is BRHNBEATYQMJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-14-11(18)8-4-5-10(9(13)6-8)19-12-15-7(2)16-17-12/h4-6H,3,13H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide?
3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide has a molecular weight of 277.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide is sourced from PubChem (CID 83000151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).