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

C10H9ClN4O2S2 — CID 2234709

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)s1
InChIInChI=1S/C10H9ClN4O2S2/c11-5-1-2-7(16)6(3-5)13-8(17)4-18-10-15-14-9(12)19-10/h1-3,16H,4H2,(H2,12,14)(H,13,17)
InChIKeyYQBCGOONTYZSHK-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.21
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide (PubChem CID 2234709) has the molecular formula C10H9ClN4O2S2 and a molecular weight of 316.80 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide
PubChem CID2234709
Molecular FormulaC10H9ClN4O2S2
Molecular Weight316.80 g/mol
Exact Mass315.99
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)s1
InChIInChI=1S/C10H9ClN4O2S2/c11-5-1-2-7(16)6(3-5)13-8(17)4-18-10-15-14-9(12)19-10/h1-3,16H,4H2,(H2,12,14)(H,13,17)
InChIKeyYQBCGOONTYZSHK-UHFFFAOYSA-N
XLogP2.21
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide (CID 2234709) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide is Nc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The InChIKey is YQBCGOONTYZSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S2/c11-5-1-2-7(16)6(3-5)13-8(17)4-18-10-15-14-9(12)19-10/h1-3,16H,4H2,(H2,12,14)(H,13,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide has a molecular weight of 316.80 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 2234709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).