N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H16N6O2S2 — CID 7295379

IUPACN-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1
InChIInChI=1S/C16H16N6O2S2/c1-10(23)18-11-4-6-12(7-5-11)19-14(24)9-26-16-21-20-15(22(16)17)13-3-2-8-25-13/h2-8H,9,17H2,1H3,(H,18,23)(H,19,24)
InChIKeyRKKKNGZPKBMQAG-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.41
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7295379) has the molecular formula C16H16N6O2S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7295379
Molecular FormulaC16H16N6O2S2
Molecular Weight388.48 g/mol
Exact Mass388.08
IUPAC NameN-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1
InChIInChI=1S/C16H16N6O2S2/c1-10(23)18-11-4-6-12(7-5-11)19-14(24)9-26-16-21-20-15(22(16)17)13-3-2-8-25-13/h2-8H,9,17H2,1H3,(H,18,23)(H,19,24)
InChIKeyRKKKNGZPKBMQAG-UHFFFAOYSA-N
XLogP2.41
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7295379) is N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is RKKKNGZPKBMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S2/c1-10(23)18-11-4-6-12(7-5-11)19-14(24)9-26-16-21-20-15(22(16)17)13-3-2-8-25-13/h2-8H,9,17H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 388.48 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7295379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).