N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C13H19N5S — CID 104673025

IUPACN-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2cc(C)nnc2CC)s1
InChIInChI=1S/C13H19N5S/c1-5-11-10(7-8(3)15-16-11)13-18-17-12(19-13)9(4)14-6-2/h7,9,14H,5-6H2,1-4H3
InChIKeyMWPNPCAHQSFYJI-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.54
Rot. Bonds5

About N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine

N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 104673025) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID104673025
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(-c2cc(C)nnc2CC)s1
InChIInChI=1S/C13H19N5S/c1-5-11-10(7-8(3)15-16-11)13-18-17-12(19-13)9(4)14-6-2/h7,9,14H,5-6H2,1-4H3
InChIKeyMWPNPCAHQSFYJI-UHFFFAOYSA-N
XLogP2.54
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-[5-(4-fluoro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 113400418
1-[5-(3-bromo-5-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 107942021
N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104615841
N-ethyl-1-[5-(4-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81129156
1-[5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104672976
2-(1-chloroethyl)-5-(3,6-dimethylpyridazin-4-yl)-1,3,4-thiadiazole
CID 104672958
N-[1-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 114021897
1-[5-(2,6-difluoro-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 79759449
N-[1-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 82818389
2-(3-ethyl-6-methylpyridazin-4-yl)-1,3-benzothiazol-6-amine
CID 104673194
N-[1-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81488183
N-[1-[5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81324177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 104673025) is N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine is CCNC(C)c1nnc(-c2cc(C)nnc2CC)s1.
What is the InChIKey of N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is MWPNPCAHQSFYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-5-11-10(7-8(3)15-16-11)13-18-17-12(19-13)9(4)14-6-2/h7,9,14H,5-6H2,1-4H3.
What are the key properties of N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 277.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 104673025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).