(5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate

C15H11ClN2O4S — CID 34373631

IUPAC(5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(OCc1nnsc1Cl)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C15H11ClN2O4S/c16-14-12(17-18-23-14)9-21-15(19)13-7-6-11(22-13)8-20-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeySAMTTZGTLSCIPQ-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.72
Rot. Bonds6

About (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate

(5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 34373631) has the molecular formula C15H11ClN2O4S and a molecular weight of 350.78 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID34373631
Molecular FormulaC15H11ClN2O4S
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(OCc1nnsc1Cl)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C15H11ClN2O4S/c16-14-12(17-18-23-14)9-21-15(19)13-7-6-11(22-13)8-20-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeySAMTTZGTLSCIPQ-UHFFFAOYSA-N
XLogP3.72
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-chlorothiadiazol-4-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646489
(4-nitrophenyl)methyl 5-(phenoxymethyl)furan-2-carboxylate
CID 7893053
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 8511107
[2-(2-chloroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468770
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892996
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 46617152
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468764
3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
CID 46690618

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate (CID 34373631) is (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate is O=C(OCc1nnsc1Cl)c1ccc(COc2ccccc2)o1.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is SAMTTZGTLSCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4S/c16-14-12(17-18-23-14)9-21-15(19)13-7-6-11(22-13)8-20-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate?
(5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 350.78 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 34373631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).