5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine

C13H18N6OS — CID 126916841

IUPAC5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCOCc1nnc(NCC2CN(c3ccc(C)nn3)C2)s1
InChIInChI=1S/C13H18N6OS/c1-9-3-4-11(16-15-9)19-6-10(7-19)5-14-13-18-17-12(21-13)8-20-2/h3-4,10H,5-8H2,1-2H3,(H,14,18)
InChIKeyLUQNAVFOTPPVBT-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.33
Rot. Bonds6

About 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine

5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 126916841) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID126916841
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCOCc1nnc(NCC2CN(c3ccc(C)nn3)C2)s1
InChIInChI=1S/C13H18N6OS/c1-9-3-4-11(16-15-9)19-6-10(7-19)5-14-13-18-17-12(21-13)8-20-2/h3-4,10H,5-8H2,1-2H3,(H,14,18)
InChIKeyLUQNAVFOTPPVBT-UHFFFAOYSA-N
XLogP1.33
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 126916741
3-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,2,4-oxadiazol-5-amine
CID 126916846
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]cyclobutanamine
CID 126916780
6-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126920030
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126917974
2-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 126916736
N,N-dimethyl-5-[[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 126916800
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]pyrrolidine-1-sulfonamide
CID 126916696
6-fluoro-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 126916907
1,2-dimethyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]imidazole-4-sulfonamide
CID 126916698
(3R)-4-methoxy-1-[5-[[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-3-phenylbutan-2-one
CID 162203692
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 126916841) is 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine is COCc1nnc(NCC2CN(c3ccc(C)nn3)C2)s1.
What is the InChIKey of 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LUQNAVFOTPPVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-9-3-4-11(16-15-9)19-6-10(7-19)5-14-13-18-17-12(21-13)8-20-2/h3-4,10H,5-8H2,1-2H3,(H,14,18).
What are the key properties of 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 306.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126916841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).