5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

C13H18N4OS — CID 103360282

IUPAC5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCCOCC(C)Nc1snc(N)c1-c1ccncc1
InChIInChI=1S/C13H18N4OS/c1-3-18-8-9(2)16-13-11(12(14)17-19-13)10-4-6-15-7-5-10/h4-7,9,16H,3,8H2,1-2H3,(H2,14,17)
InChIKeyPUHAZVIKWAGGAM-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.62
Rot. Bonds6

About 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (PubChem CID 103360282) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
PubChem CID103360282
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCCOCC(C)Nc1snc(N)c1-c1ccncc1
InChIInChI=1S/C13H18N4OS/c1-3-18-8-9(2)16-13-11(12(14)17-19-13)10-4-6-15-7-5-10/h4-7,9,16H,3,8H2,1-2H3,(H2,14,17)
InChIKeyPUHAZVIKWAGGAM-UHFFFAOYSA-N
XLogP2.62
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(3-methylpentan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103359578
4-pyridin-4-yl-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363995
5-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103360020
4-pyridin-4-yl-5-N-(2,3,3-trimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365005
2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
CID 103359608
4-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]butan-2-ol
CID 103359777
N-(1-ethoxypropan-2-yl)-2,1-benzothiazol-3-amine
CID 66353606
2-[2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]ethoxy]ethanol
CID 103360990
5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360134
2-[3-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)amino]propoxy]ethanol
CID 106311959
4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103379011
4-(2-methyl-1,3-thiazol-4-yl)-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382912

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (CID 103360282) is 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is CCOCC(C)Nc1snc(N)c1-c1ccncc1.
What is the InChIKey of 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The InChIKey is PUHAZVIKWAGGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-18-8-9(2)16-13-11(12(14)17-19-13)10-4-6-15-7-5-10/h4-7,9,16H,3,8H2,1-2H3,(H2,14,17).
What are the key properties of 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-ethoxypropan-2-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).