3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine

C12H16N4OS — CID 114268272

IUPAC3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOC(C)c1nsc(NCc2ccc(C)nc2)n1
InChIInChI=1S/C12H16N4OS/c1-8-4-5-10(6-13-8)7-14-12-15-11(16-18-12)9(2)17-3/h4-6,9H,7H2,1-3H3,(H,14,15,16)
InChIKeyDJEBKFZHGHNRSF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.56
Rot. Bonds5

About 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine

3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 114268272) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID114268272
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOC(C)c1nsc(NCc2ccc(C)nc2)n1
InChIInChI=1S/C12H16N4OS/c1-8-4-5-10(6-13-8)7-14-12-15-11(16-18-12)9(2)17-3/h4-6,9H,7H2,1-3H3,(H,14,15,16)
InChIKeyDJEBKFZHGHNRSF-UHFFFAOYSA-N
XLogP2.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982708
N-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133319260
methyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80569959
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133335499
N-[(3-methylphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271290
N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 114268243
methyl 3-[2-[(6-methyl-3-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040356
4-hydrazinyl-6-methoxy-N-[(6-methyl-3-pyridinyl)methyl]-1,3,5-triazin-2-amine
CID 80913655
N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62991990
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318360
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133358837
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (CID 114268272) is 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is COC(C)c1nsc(NCc2ccc(C)nc2)n1.
What is the InChIKey of 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DJEBKFZHGHNRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-4-5-10(6-13-8)7-14-12-15-11(16-18-12)9(2)17-3/h4-6,9H,7H2,1-3H3,(H,14,15,16).
What are the key properties of 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 264.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114268272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).