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

C10H10ClN5O2S — CID 7746455

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESNn1cnnc1SCC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C10H10ClN5O2S/c11-6-1-2-8(17)7(3-6)14-9(18)4-19-10-15-13-5-16(10)12/h1-3,5,17H,4,12H2,(H,14,18)
InChIKeyVIYUHWMXKKJJTL-UHFFFAOYSA-N
MW299.74 g/mol
LogP1.08
Rot. Bonds4

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

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide (PubChem CID 7746455) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide
PubChem CID7746455
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESNn1cnnc1SCC(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C10H10ClN5O2S/c11-6-1-2-8(17)7(3-6)14-9(18)4-19-10-15-13-5-16(10)12/h1-3,5,17H,4,12H2,(H,14,18)
InChIKeyVIYUHWMXKKJJTL-UHFFFAOYSA-N
XLogP1.08
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9552045
N-(5-chloro-2-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
CID 5056537
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 859351
N-(5-chloro-2-hydroxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 1259989
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 2234709
N-(5-chloro-2-methoxyphenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 2343414
N-(2-hydroxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2964219
4-Chloro-2-[(1-methyl-1,2,4-triazol-3-yl)amino]phenol
CID 168984472
N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 738733
N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2343404
N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2513719
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2515064

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide (CID 7746455) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide is Nn1cnnc1SCC(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The InChIKey is VIYUHWMXKKJJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c11-6-1-2-8(17)7(3-6)14-9(18)4-19-10-15-13-5-16(10)12/h1-3,5,17H,4,12H2,(H,14,18).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide has a molecular weight of 299.74 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 7746455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).