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

C9H10N4OS — CID 57037696

IUPAC4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine
SMILESCOc1nsnc1NCc1ccccn1
InChIInChI=1S/C9H10N4OS/c1-14-9-8(12-15-13-9)11-6-7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyMZQWBQJQBMESOD-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.55
Rot. Bonds4

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

4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine (PubChem CID 57037696) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine
PubChem CID57037696
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine
SMILESCOc1nsnc1NCc1ccccn1
InChIInChI=1S/C9H10N4OS/c1-14-9-8(12-15-13-9)11-6-7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,11,12)
InChIKeyMZQWBQJQBMESOD-UHFFFAOYSA-N
XLogP1.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
CID 106192514
7-methoxy-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003056
3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62733415
6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456039
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
2-methoxy-5-phenyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11360029
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178
3-tert-butyl-N-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271142
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 123270108
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine (CID 57037696) is 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine is COc1nsnc1NCc1ccccn1.
What is the InChIKey of 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is MZQWBQJQBMESOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-14-9-8(12-15-13-9)11-6-7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine?
4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 222.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 57037696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).