5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide

C19H16ClN3O5S — CID 52902734

IUPAC5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide
SMILESO=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1
InChIInChI=1S/C19H16ClN3O5S/c20-12-5-3-11(4-6-12)9-27-16-10-28-15(8-13(16)24)17(25)21-19-23-22-18(29-19)14-2-1-7-26-14/h3-6,8,10,14H,1-2,7,9H2,(H,21,23,25)/t14-/m1/s1
InChIKeyUAVADKXSALVQDY-CQSZACIVSA-N
MW433.87 g/mol
LogP3.83
Rot. Bonds6

About 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide

5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide (PubChem CID 52902734) has the molecular formula C19H16ClN3O5S and a molecular weight of 433.87 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide
PubChem CID52902734
Molecular FormulaC19H16ClN3O5S
Molecular Weight433.87 g/mol
Exact Mass433.05
IUPAC Name5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide
SMILESO=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1
InChIInChI=1S/C19H16ClN3O5S/c20-12-5-3-11(4-6-12)9-27-16-10-28-15(8-13(16)24)17(25)21-19-23-22-18(29-19)14-2-1-7-26-14/h3-6,8,10,14H,1-2,7,9H2,(H,21,23,25)/t14-/m1/s1
InChIKeyUAVADKXSALVQDY-CQSZACIVSA-N
XLogP3.83
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42227129
3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 51721207
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
(E)-3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 19182062
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 19187582
2-(4-ethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178444
2-chloro-5-(2-methylpropyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 75489838
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide (CID 52902734) is 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide is O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccc(Cl)cc2)co1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide?
The InChIKey is UAVADKXSALVQDY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16ClN3O5S/c20-12-5-3-11(4-6-12)9-27-16-10-28-15(8-13(16)24)17(25)21-19-23-22-18(29-19)14-2-1-7-26-14/h3-6,8,10,14H,1-2,7,9H2,(H,21,23,25)/t14-/m1/s1.
What are the key properties of 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide?
5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide has a molecular weight of 433.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-4-oxo-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyran-2-carboxamide is sourced from PubChem (CID 52902734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).