N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide

C24H18ClFN4O4S — CID 155342320

IUPACN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1ccncc1-c1c(F)cccc1OC1COC1
InChIInChI=1S/C24H18ClFN4O4S/c25-15-6-4-14(5-7-15)11-33-24-30-29-23(35-24)28-22(31)17-8-9-27-10-18(17)21-19(26)2-1-3-20(21)34-16-12-32-13-16/h1-10,16H,11-13H2,(H,28,29,31)
InChIKeyJZLWRASXQMTCRS-UHFFFAOYSA-N
MW512.95 g/mol
LogP5.00
Rot. Bonds8

About N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide

N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide (PubChem CID 155342320) has the molecular formula C24H18ClFN4O4S and a molecular weight of 512.95 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide
PubChem CID155342320
Molecular FormulaC24H18ClFN4O4S
Molecular Weight512.95 g/mol
Exact Mass512.07
IUPAC NameN-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1ccncc1-c1c(F)cccc1OC1COC1
InChIInChI=1S/C24H18ClFN4O4S/c25-15-6-4-14(5-7-15)11-33-24-30-29-23(35-24)28-22(31)17-8-9-27-10-18(17)21-19(26)2-1-3-20(21)34-16-12-32-13-16/h1-10,16H,11-13H2,(H,28,29,31)
InChIKeyJZLWRASXQMTCRS-UHFFFAOYSA-N
XLogP5.00
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.95
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide (CID 155342320) is N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide is O=C(Nc1nnc(OCc2ccc(Cl)cc2)s1)c1ccncc1-c1c(F)cccc1OC1COC1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide?
The InChIKey is JZLWRASXQMTCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O4S/c25-15-6-4-14(5-7-15)11-33-24-30-29-23(35-24)28-22(31)17-8-9-27-10-18(17)21-19(26)2-1-3-20(21)34-16-12-32-13-16/h1-10,16H,11-13H2,(H,28,29,31).
What are the key properties of N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide?
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide has a molecular weight of 512.95 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[2-fluoro-6-(oxetan-3-yloxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 155342320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).