N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide

C19H16FN5O2S — CID 71795878

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)nn1
InChIInChI=1S/C19H16FN5O2S/c1-11-16(9-21-18(26)14-7-8-17(27-2)24-23-14)28-19-22-15(10-25(11)19)12-3-5-13(20)6-4-12/h3-8,10H,9H2,1-2H3,(H,21,26)
InChIKeyIHRLTEMKOWLAPL-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.24
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide (PubChem CID 71795878) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide
PubChem CID71795878
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)nn1
InChIInChI=1S/C19H16FN5O2S/c1-11-16(9-21-18(26)14-7-8-17(27-2)24-23-14)28-19-22-15(10-25(11)19)12-3-5-13(20)6-4-12/h3-8,10H,9H2,1-2H3,(H,21,26)
InChIKeyIHRLTEMKOWLAPL-UHFFFAOYSA-N
XLogP3.24
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide (CID 71795878) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide is COc1ccc(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)nn1.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide?
The InChIKey is IHRLTEMKOWLAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-11-16(9-21-18(26)14-7-8-17(27-2)24-23-14)28-19-22-15(10-25(11)19)12-3-5-13(20)6-4-12/h3-8,10H,9H2,1-2H3,(H,21,26).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 71795878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).