[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate

C16H11ClN4O3S — CID 13150557

IUPAC[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate
SMILESO=C(ON(C(=O)Nc1cnns1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H11ClN4O3S/c17-13-9-5-4-8-12(13)15(22)24-21(11-6-2-1-3-7-11)16(23)19-14-10-18-20-25-14/h1-10H,(H,19,23)
InChIKeyAPBAOPWZXARORZ-UHFFFAOYSA-N
MW374.81 g/mol
LogP4.00
Rot. Bonds3

About [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate

[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate (PubChem CID 13150557) has the molecular formula C16H11ClN4O3S and a molecular weight of 374.81 g/mol. Its IUPAC name is [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate.

Molecular Properties

Compound Name[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate
PubChem CID13150557
Molecular FormulaC16H11ClN4O3S
Molecular Weight374.81 g/mol
Exact Mass374.02
IUPAC Name[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate
SMILESO=C(ON(C(=O)Nc1cnns1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H11ClN4O3S/c17-13-9-5-4-8-12(13)15(22)24-21(11-6-2-1-3-7-11)16(23)19-14-10-18-20-25-14/h1-10H,(H,19,23)
InChIKeyAPBAOPWZXARORZ-UHFFFAOYSA-N
XLogP4.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chloroacetate
CID 13150552
1-phenyl-1-propoxy-3-(thiadiazol-5-yl)urea
CID 13150559
2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914439
5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114911491
2-[4-methyl-N-(thiadiazol-5-ylcarbamoyl)anilino]acetic acid
CID 114913138
3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912815
3,5-dichloro-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid
CID 114913171
3-fluoro-2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914426
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide
CID 99789672
2-hydroxy-3-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912821
2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide
CID 114912654

Frequently Asked Questions

What is the IUPAC name of [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate?
The IUPAC name of [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate (CID 13150557) is [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate.
What is the SMILES notation for [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate?
The canonical SMILES for [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate is O=C(ON(C(=O)Nc1cnns1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate?
The InChIKey is APBAOPWZXARORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3S/c17-13-9-5-4-8-12(13)15(22)24-21(11-6-2-1-3-7-11)16(23)19-14-10-18-20-25-14/h1-10H,(H,19,23).
What are the key properties of [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate?
[N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate has a molecular weight of 374.81 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(thiadiazol-5-ylcarbamoyl)anilino] 2-chlorobenzoate is sourced from PubChem (CID 13150557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).