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

C12H16N4S — CID 79176329

IUPAC4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1csc(CCNc2cc(C)c(N)cn2)n1
InChIInChI=1S/C12H16N4S/c1-8-5-11(15-6-10(8)13)14-4-3-12-16-9(2)7-17-12/h5-7H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyVIROXEMNRHDMAS-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.39
Rot. Bonds4

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

4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine (PubChem CID 79176329) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
PubChem CID79176329
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
SMILESCc1csc(CCNc2cc(C)c(N)cn2)n1
InChIInChI=1S/C12H16N4S/c1-8-5-11(15-6-10(8)13)14-4-3-12-16-9(2)7-17-12/h5-7H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyVIROXEMNRHDMAS-UHFFFAOYSA-N
XLogP2.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804
4-methyl-2-N-[2-(3-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 115147485
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686
2,4,6-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82121506
4-bromo-5-fluoro-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 66112510
5-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115774025
4-methyl-2-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2,5-diamine
CID 115147478
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
4-methyl-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 79176053
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine (CID 79176329) is 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine is Cc1csc(CCNc2cc(C)c(N)cn2)n1.
What is the InChIKey of 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is VIROXEMNRHDMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-5-11(15-6-10(8)13)14-4-3-12-16-9(2)7-17-12/h5-7H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine?
4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 79176329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).