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

C12H16N4S — CID 114129232

IUPAC4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
SMILESCCc1cnc(CNc2ccnc(NC)c2)s1
InChIInChI=1S/C12H16N4S/c1-3-10-7-16-12(17-10)8-15-9-4-5-14-11(6-9)13-2/h4-7H,3,8H2,1-2H3,(H2,13,14,15)
InChIKeyXEOJZIQPTZXSEG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.75
Rot. Bonds5

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

4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine (PubChem CID 114129232) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
PubChem CID114129232
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
SMILESCCc1cnc(CNc2ccnc(NC)c2)s1
InChIInChI=1S/C12H16N4S/c1-3-10-7-16-12(17-10)8-15-9-4-5-14-11(6-9)13-2/h4-7H,3,8H2,1-2H3,(H2,13,14,15)
InChIKeyXEOJZIQPTZXSEG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine (CID 114129232) is 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine is CCc1cnc(CNc2ccnc(NC)c2)s1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine?
The InChIKey is XEOJZIQPTZXSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-10-7-16-12(17-10)8-15-9-4-5-14-11(6-9)13-2/h4-7H,3,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine?
4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine has a molecular weight of 248.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 114129232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).