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

C9H9ClN4OS — CID 106192514

IUPAC4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
SMILESCOc1ncccc1CNc1nsnc1Cl
InChIInChI=1S/C9H9ClN4OS/c1-15-9-6(3-2-4-11-9)5-12-8-7(10)13-16-14-8/h2-4H,5H2,1H3,(H,12,14)
InChIKeyBXZXARKXRGFMTI-UHFFFAOYSA-N
MW256.72 g/mol
LogP2.21
Rot. Bonds4

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

4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine (PubChem CID 106192514) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
PubChem CID106192514
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
SMILESCOc1ncccc1CNc1nsnc1Cl
InChIInChI=1S/C9H9ClN4OS/c1-15-9-6(3-2-4-11-9)5-12-8-7(10)13-16-14-8/h2-4H,5H2,1H3,(H,12,14)
InChIKeyBXZXARKXRGFMTI-UHFFFAOYSA-N
XLogP2.21
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine (CID 106192514) is 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine is COc1ncccc1CNc1nsnc1Cl.
What is the InChIKey of 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is BXZXARKXRGFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-15-9-6(3-2-4-11-9)5-12-8-7(10)13-16-14-8/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine?
4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 256.72 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 106192514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).