6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine

C10H12N4S — CID 80646818

IUPAC6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
SMILESCc1ncc(CNc2cccc(N)n2)s1
InChIInChI=1S/C10H12N4S/c1-7-12-5-8(15-7)6-13-10-4-2-3-9(11)14-10/h2-5H,6H2,1H3,(H3,11,13,14)
InChIKeyWOIUDVDYGFNRQO-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.04
Rot. Bonds3

About 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine

6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine (PubChem CID 80646818) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
PubChem CID80646818
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
SMILESCc1ncc(CNc2cccc(N)n2)s1
InChIInChI=1S/C10H12N4S/c1-7-12-5-8(15-7)6-13-10-4-2-3-9(11)14-10/h2-5H,6H2,1H3,(H3,11,13,14)
InChIKeyWOIUDVDYGFNRQO-UHFFFAOYSA-N
XLogP2.04
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine (CID 80646818) is 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine is Cc1ncc(CNc2cccc(N)n2)s1.
What is the InChIKey of 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine?
The InChIKey is WOIUDVDYGFNRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-12-5-8(15-7)6-13-10-4-2-3-9(11)14-10/h2-5H,6H2,1H3,(H3,11,13,14).
What are the key properties of 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine?
6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine has a molecular weight of 220.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80646818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).