N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C19H17FN4O3S — CID 52901080

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCC4)n2)c(F)c1
InChIInChI=1S/C19H17FN4O3S/c1-27-11-5-6-12(13(20)9-11)14-7-8-18(26)24(23-14)10-17(25)22-19-21-15-3-2-4-16(15)28-19/h5-9H,2-4,10H2,1H3,(H,21,22,25)
InChIKeyHHKMNGUADPYMDO-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.64
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 52901080) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID52901080
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCC4)n2)c(F)c1
InChIInChI=1S/C19H17FN4O3S/c1-27-11-5-6-12(13(20)9-11)14-7-8-18(26)24(23-14)10-17(25)22-19-21-15-3-2-4-16(15)28-19/h5-9H,2-4,10H2,1H3,(H,21,22,25)
InChIKeyHHKMNGUADPYMDO-UHFFFAOYSA-N
XLogP2.64
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 52901397
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 53367656
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 121052076
2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51054929
2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoic acid
CID 53371341
methyl 2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91821632
methyl (2S)-2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91639933
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043150
N-(2,4-dimethoxyphenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51048517
2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51049147
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 84559858
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51049159

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 52901080) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4c(s3)CCC4)n2)c(F)c1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HHKMNGUADPYMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-27-11-5-6-12(13(20)9-11)14-7-8-18(26)24(23-14)10-17(25)22-19-21-15-3-2-4-16(15)28-19/h5-9H,2-4,10H2,1H3,(H,21,22,25).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 400.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 52901080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).