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

C14H20N4S — CID 106041619

IUPAC4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NCCc2csc(C)n2)ccn1
InChIInChI=1S/C14H20N4S/c1-3-6-16-14-9-12(4-8-17-14)15-7-5-13-10-19-11(2)18-13/h4,8-10H,3,5-7H2,1-2H3,(H2,15,16,17)
InChIKeyANBMOJPZCZRYPD-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.32
Rot. Bonds7

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

4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine (PubChem CID 106041619) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
PubChem CID106041619
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(NCCc2csc(C)n2)ccn1
InChIInChI=1S/C14H20N4S/c1-3-6-16-14-9-12(4-8-17-14)15-7-5-13-10-19-11(2)18-13/h4,8-10H,3,5-7H2,1-2H3,(H2,15,16,17)
InChIKeyANBMOJPZCZRYPD-UHFFFAOYSA-N
XLogP3.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106041934
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62174606
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine
CID 133468064
2-methoxy-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 114139225
2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine
CID 102824819
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,7-naphthyridin-1-amine
CID 166260063
2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114140022
2-methyl-N-propylpyridin-4-amine
CID 79240818
1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
CID 114094092
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine (CID 106041619) is 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine is CCCNc1cc(NCCc2csc(C)n2)ccn1.
What is the InChIKey of 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine?
The InChIKey is ANBMOJPZCZRYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-6-16-14-9-12(4-8-17-14)15-7-5-13-10-19-11(2)18-13/h4,8-10H,3,5-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine?
4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 106041619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).