6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine

C10H12N4OS — CID 115320492

IUPAC6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2nccs2)n1
InChIInChI=1S/C10H12N4OS/c1-15-8-3-2-7(11)10(14-8)13-6-9-12-4-5-16-9/h2-5H,6,11H2,1H3,(H,13,14)
InChIKeyPSDVRCYHVPQHHS-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.74
Rot. Bonds4

About 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine

6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine (PubChem CID 115320492) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
PubChem CID115320492
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2nccs2)n1
InChIInChI=1S/C10H12N4OS/c1-15-8-3-2-7(11)10(14-8)13-6-9-12-4-5-16-9/h2-5H,6,11H2,1H3,(H,13,14)
InChIKeyPSDVRCYHVPQHHS-UHFFFAOYSA-N
XLogP1.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine (CID 115320492) is 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine is COc1ccc(N)c(NCc2nccs2)n1.
What is the InChIKey of 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine?
The InChIKey is PSDVRCYHVPQHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-15-8-3-2-7(11)10(14-8)13-6-9-12-4-5-16-9/h2-5H,6,11H2,1H3,(H,13,14).
What are the key properties of 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine?
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine has a molecular weight of 236.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 115320492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).