N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C10H9IN4OS — CID 2952564

IUPACN-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1cccc(I)c1
InChIInChI=1S/C10H9IN4OS/c11-7-2-1-3-8(4-7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15)
InChIKeyAUGUEBPTJIIHEK-UHFFFAOYSA-N
MW360.18 g/mol
LogP2.14
Rot. Bonds4

About N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2952564) has the molecular formula C10H9IN4OS and a molecular weight of 360.18 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2952564
Molecular FormulaC10H9IN4OS
Molecular Weight360.18 g/mol
Exact Mass359.95
IUPAC NameN-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)Nc1cccc(I)c1
InChIInChI=1S/C10H9IN4OS/c11-7-2-1-3-8(4-7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15)
InChIKeyAUGUEBPTJIIHEK-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712248
methyl 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate
CID 2238286
N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2347051
N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2535856
N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706804
N-(4-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712238
N-(3-iodophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 137144407
N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2374011
N-(3-chloro-4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7976869
N-[4-(diethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 974993
2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 47262894
N-(3-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide;hydrochloride
CID 45054225

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2952564) is N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is AUGUEBPTJIIHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4OS/c11-7-2-1-3-8(4-7)14-9(16)5-17-10-12-6-13-15-10/h1-4,6H,5H2,(H,14,16)(H,12,13,15).
What are the key properties of N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 360.18 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2952564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).