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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Related Compounds

4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 114129232
4-ethylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 103895801
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 113367828
ethyl 3-[[2-(ethylamino)-4-pyridinyl]amino]propanoate
CID 113367744
3-[[2-(ethylamino)-4-pyridinyl]amino]-2,2-difluoropropan-1-ol
CID 106179413
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide
CID 114127834
2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
CID 107819048
6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 103764750
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
N-ethyl-2-(3-methylthiophen-2-yl)pyridin-4-amine
CID 102824886

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).