(thiadiazole-4-carbonylamino) 2-chlorobenzoate

C10H6ClN3O3S — CID 1475532

IUPAC(thiadiazole-4-carbonylamino) 2-chlorobenzoate
SMILESO=C(NOC(=O)c1ccccc1Cl)c1csnn1
InChIInChI=1S/C10H6ClN3O3S/c11-7-4-2-1-3-6(7)10(16)17-13-9(15)8-5-18-14-12-8/h1-5H,(H,13,15)
InChIKeyQFSGAQJHOJXGFA-UHFFFAOYSA-N
MW283.70 g/mol
LogP1.69
Rot. Bonds2

About (thiadiazole-4-carbonylamino) 2-chlorobenzoate

(thiadiazole-4-carbonylamino) 2-chlorobenzoate (PubChem CID 1475532) has the molecular formula C10H6ClN3O3S and a molecular weight of 283.70 g/mol. Its IUPAC name is (thiadiazole-4-carbonylamino) 2-chlorobenzoate.

Molecular Properties

Compound Name(thiadiazole-4-carbonylamino) 2-chlorobenzoate
PubChem CID1475532
Molecular FormulaC10H6ClN3O3S
Molecular Weight283.70 g/mol
Exact Mass282.98
IUPAC Name(thiadiazole-4-carbonylamino) 2-chlorobenzoate
SMILESO=C(NOC(=O)c1ccccc1Cl)c1csnn1
InChIInChI=1S/C10H6ClN3O3S/c11-7-4-2-1-3-6(7)10(16)17-13-9(15)8-5-18-14-12-8/h1-5H,(H,13,15)
InChIKeyQFSGAQJHOJXGFA-UHFFFAOYSA-N
XLogP1.69
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 51.69
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

(thiadiazole-4-carbonylamino)thiourea
CID 65216202
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
N-[2-(aminomethyl)phenyl]thiadiazole-4-carboxamide
CID 65216285
N-[4-[(2,3-dichlorophenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 57052154
3-chloro-4-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214609
2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid
CID 65214345
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
CID 1488645
N-(6-amino-3-pyridinyl)thiadiazole-4-carboxamide
CID 65216177
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
(3-chlorophenyl)-(thiadiazol-4-yl)methanone
CID 105082748
benzhydryl thiadiazole-4-carboxylate
CID 57265234
ethyl 5-methyl-2-(thiadiazole-4-carbonylamino)thiophene-3-carboxylate
CID 65216558

Frequently Asked Questions

What is the IUPAC name of (thiadiazole-4-carbonylamino) 2-chlorobenzoate?
The IUPAC name of (thiadiazole-4-carbonylamino) 2-chlorobenzoate (CID 1475532) is (thiadiazole-4-carbonylamino) 2-chlorobenzoate.
What is the SMILES notation for (thiadiazole-4-carbonylamino) 2-chlorobenzoate?
The canonical SMILES for (thiadiazole-4-carbonylamino) 2-chlorobenzoate is O=C(NOC(=O)c1ccccc1Cl)c1csnn1.
What is the InChIKey of (thiadiazole-4-carbonylamino) 2-chlorobenzoate?
The InChIKey is QFSGAQJHOJXGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3S/c11-7-4-2-1-3-6(7)10(16)17-13-9(15)8-5-18-14-12-8/h1-5H,(H,13,15).
What are the key properties of (thiadiazole-4-carbonylamino) 2-chlorobenzoate?
(thiadiazole-4-carbonylamino) 2-chlorobenzoate has a molecular weight of 283.70 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (thiadiazole-4-carbonylamino) 2-chlorobenzoate is sourced from PubChem (CID 1475532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).