6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine

C13H19N5S — CID 80845103

IUPAC6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine
SMILESCCCNc1cncc(NC(CC)c2nccs2)n1
InChIInChI=1S/C13H19N5S/c1-3-5-15-11-8-14-9-12(18-11)17-10(4-2)13-16-6-7-19-13/h6-10H,3-5H2,1-2H3,(H2,15,17,18)
InChIKeyNOWWTJGPOVVLLE-UHFFFAOYSA-N
MW277.40 g/mol
LogP3.32
Rot. Bonds7

About 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine

6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine (PubChem CID 80845103) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine
PubChem CID80845103
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine
SMILESCCCNc1cncc(NC(CC)c2nccs2)n1
InChIInChI=1S/C13H19N5S/c1-3-5-15-11-8-14-9-12(18-11)17-10(4-2)13-16-6-7-19-13/h6-10H,3-5H2,1-2H3,(H2,15,17,18)
InChIKeyNOWWTJGPOVVLLE-UHFFFAOYSA-N
XLogP3.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
6-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
CID 80917852
6-propoxy-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 66328037
4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 83153505
2-methylsulfanyl-6-N-propyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80845107
N-[1-(1,3-thiazol-2-yl)propyl]quinazolin-2-amine
CID 114789128
6-N-propyl-2-N-(1-pyridin-2-ylethyl)pyrazine-2,6-diamine
CID 80781351
4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772193
2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine
CID 106028710
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine (CID 80845103) is 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine is CCCNc1cncc(NC(CC)c2nccs2)n1.
What is the InChIKey of 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine?
The InChIKey is NOWWTJGPOVVLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-3-5-15-11-8-14-9-12(18-11)17-10(4-2)13-16-6-7-19-13/h6-10H,3-5H2,1-2H3,(H2,15,17,18).
What are the key properties of 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine?
6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine has a molecular weight of 277.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-2-N-[1-(1,3-thiazol-2-yl)propyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80845103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).