(5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate

C15H10ClN3O4S — CID 35277569

IUPAC(5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate
SMILESO=C(OCc1nnsc1Cl)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H10ClN3O4S/c16-13-11(18-19-24-13)8-23-15(21)9-3-5-10(6-4-9)17-14(20)12-2-1-7-22-12/h1-7H,8H2,(H,17,20)
InChIKeyPGSZMSJIPICRKU-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.39
Rot. Bonds5

About (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate

(5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate (PubChem CID 35277569) has the molecular formula C15H10ClN3O4S and a molecular weight of 363.78 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate
PubChem CID35277569
Molecular FormulaC15H10ClN3O4S
Molecular Weight363.78 g/mol
Exact Mass363.01
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate
SMILESO=C(OCc1nnsc1Cl)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H10ClN3O4S/c16-13-11(18-19-24-13)8-23-15(21)9-3-5-10(6-4-9)17-14(20)12-2-1-7-22-12/h1-7H,8H2,(H,17,20)
InChIKeyPGSZMSJIPICRKU-UHFFFAOYSA-N
XLogP3.39
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
CID 7734308
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
CID 7734391
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(furan-2-carbonylamino)benzoate
CID 7734276
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(furan-2-carbonylamino)benzoate
CID 8909683
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate (CID 35277569) is (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate is O=C(OCc1nnsc1Cl)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate?
The InChIKey is PGSZMSJIPICRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S/c16-13-11(18-19-24-13)8-23-15(21)9-3-5-10(6-4-9)17-14(20)12-2-1-7-22-12/h1-7H,8H2,(H,17,20).
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate?
(5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate has a molecular weight of 363.78 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 35277569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).