2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine

C12H16N4S — CID 114129208

IUPAC2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine
SMILESCCNc1cc(NCc2ncc(C)s2)ccn1
InChIInChI=1S/C12H16N4S/c1-3-13-11-6-10(4-5-14-11)15-8-12-16-7-9(2)17-12/h4-7H,3,8H2,1-2H3,(H2,13,14,15)
InChIKeyGALRHSSCAPLJIX-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.89
Rot. Bonds5

About 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine

2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine (PubChem CID 114129208) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine
PubChem CID114129208
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine
SMILESCCNc1cc(NCc2ncc(C)s2)ccn1
InChIInChI=1S/C12H16N4S/c1-3-13-11-6-10(4-5-14-11)15-8-12-16-7-9(2)17-12/h4-7H,3,8H2,1-2H3,(H2,13,14,15)
InChIKeyGALRHSSCAPLJIX-UHFFFAOYSA-N
XLogP2.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine (CID 114129208) is 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine is CCNc1cc(NCc2ncc(C)s2)ccn1.
What is the InChIKey of 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine?
The InChIKey is GALRHSSCAPLJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-13-11-6-10(4-5-14-11)15-8-12-16-7-9(2)17-12/h4-7H,3,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine?
2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 114129208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).