N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine

C12H16N4OS — CID 133430451

IUPACN-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCN(Cc1cccnc1)c1nc(C)ns1
InChIInChI=1S/C12H16N4OS/c1-10-14-12(18-15-10)16(6-7-17-2)9-11-4-3-5-13-8-11/h3-5,8H,6-7,9H2,1-2H3
InChIKeyRDWLMGYSCPKWGB-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.89
Rot. Bonds6

About N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133430451) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133430451
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCN(Cc1cccnc1)c1nc(C)ns1
InChIInChI=1S/C12H16N4OS/c1-10-14-12(18-15-10)16(6-7-17-2)9-11-4-3-5-13-8-11/h3-5,8H,6-7,9H2,1-2H3
InChIKeyRDWLMGYSCPKWGB-UHFFFAOYSA-N
XLogP1.89
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-methyl-1,2,4-thiadiazol-5-yl)-(pyridin-3-ylmethyl)amino]propanethioamide
CID 65268022
N-(2-methoxyethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 46986682
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270798
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270849
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
ethyl 7-[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-3-ylamino]heptanoate
CID 90134033
2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide
CID 56513116
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
3-[(4-bromo-1,3-thiazol-2-yl)-(pyridin-3-ylmethyl)amino]propanethioamide
CID 79399337
N'-(2-methoxyethyl)-N'-methyl-N-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63264515
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine
CID 114276433

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 133430451) is N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine is COCCN(Cc1cccnc1)c1nc(C)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RDWLMGYSCPKWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-10-14-12(18-15-10)16(6-7-17-2)9-11-4-3-5-13-8-11/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 264.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133430451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).