2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine

C9H11N5S — CID 80652908

IUPAC2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine
SMILESCc1nc(Nc2cnc(N)cn2)sc1C
InChIInChI=1S/C9H11N5S/c1-5-6(2)15-9(13-5)14-8-4-11-7(10)3-12-8/h3-4H,1-2H3,(H2,10,11)(H,12,13,14)
InChIKeySOWVKAKTVODVIO-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.88
Rot. Bonds2

About 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine

2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine (PubChem CID 80652908) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine
PubChem CID80652908
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine
SMILESCc1nc(Nc2cnc(N)cn2)sc1C
InChIInChI=1S/C9H11N5S/c1-5-6(2)15-9(13-5)14-8-4-11-7(10)3-12-8/h3-4H,1-2H3,(H2,10,11)(H,12,13,14)
InChIKeySOWVKAKTVODVIO-UHFFFAOYSA-N
XLogP1.88
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine (CID 80652908) is 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine is Cc1nc(Nc2cnc(N)cn2)sc1C.
What is the InChIKey of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine?
The InChIKey is SOWVKAKTVODVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-5-6(2)15-9(13-5)14-8-4-11-7(10)3-12-8/h3-4H,1-2H3,(H2,10,11)(H,12,13,14).
What are the key properties of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine?
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine has a molecular weight of 221.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazine-2,5-diamine is sourced from PubChem (CID 80652908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).