5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one

C13H11N5O2S — CID 82445927

IUPAC5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1cccc(-c2cc(-c3nnc(N)s3)c(=O)[nH]n2)c1
InChIInChI=1S/C13H11N5O2S/c1-20-8-4-2-3-7(5-8)10-6-9(11(19)16-15-10)12-17-18-13(14)21-12/h2-6H,1H3,(H2,14,18)(H,16,19)
InChIKeyUOVJWTWEFAAVRD-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.55
Rot. Bonds3

About 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one

5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 82445927) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID82445927
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1cccc(-c2cc(-c3nnc(N)s3)c(=O)[nH]n2)c1
InChIInChI=1S/C13H11N5O2S/c1-20-8-4-2-3-7(5-8)10-6-9(11(19)16-15-10)12-17-18-13(14)21-12/h2-6H,1H3,(H2,14,18)(H,16,19)
InChIKeyUOVJWTWEFAAVRD-UHFFFAOYSA-N
XLogP1.55
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134548
5-(bromomethyl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445918
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82393432
5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 4616762
3-methoxy-6-(3-methoxyphenyl)pyridazin-4-amine
CID 117127015
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 142088621
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one (CID 82445927) is 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one is COc1cccc(-c2cc(-c3nnc(N)s3)c(=O)[nH]n2)c1.
What is the InChIKey of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is UOVJWTWEFAAVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c1-20-8-4-2-3-7(5-8)10-6-9(11(19)16-15-10)12-17-18-13(14)21-12/h2-6H,1H3,(H2,14,18)(H,16,19).
What are the key properties of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one?
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 301.33 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).