N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C24H20FN5OS — CID 73168725

IUPACN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C24H20FN5OS/c25-18-9-3-1-7-16(18)24-27-21(15-32-24)17-8-2-4-10-19(17)26-23(31)20-11-12-22(29-28-20)30-13-5-6-14-30/h1-4,7-12,15H,5-6,13-14H2,(H,26,31)
InChIKeyZTNOJWVFLBTMJV-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.26
Rot. Bonds5

About N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 73168725) has the molecular formula C24H20FN5OS and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID73168725
Molecular FormulaC24H20FN5OS
Molecular Weight445.52 g/mol
Exact Mass445.14
IUPAC NameN-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C24H20FN5OS/c25-18-9-3-1-7-16(18)24-27-21(15-32-24)17-8-2-4-10-19(17)26-23(31)20-11-12-22(29-28-20)30-13-5-6-14-30/h1-4,7-12,15H,5-6,13-14H2,(H,26,31)
InChIKeyZTNOJWVFLBTMJV-UHFFFAOYSA-N
XLogP5.26
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 73168725) is N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is ZTNOJWVFLBTMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5OS/c25-18-9-3-1-7-16(18)24-27-21(15-32-24)17-8-2-4-10-19(17)26-23(31)20-11-12-22(29-28-20)30-13-5-6-14-30/h1-4,7-12,15H,5-6,13-14H2,(H,26,31).
What are the key properties of N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 73168725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).