2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine

C11H15N5S — CID 114129233

IUPAC2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCCc1cnc(CNc2cncc(NC)n2)s1
InChIInChI=1S/C11H15N5S/c1-3-8-4-15-11(17-8)7-14-10-6-13-5-9(12-2)16-10/h4-6H,3,7H2,1-2H3,(H2,12,14,16)
InChIKeyLGMMIOSBEHIUHQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.15
Rot. Bonds5

About 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine

2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 114129233) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID114129233
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCCc1cnc(CNc2cncc(NC)n2)s1
InChIInChI=1S/C11H15N5S/c1-3-8-4-15-11(17-8)7-14-10-6-13-5-9(12-2)16-10/h4-6H,3,7H2,1-2H3,(H2,12,14,16)
InChIKeyLGMMIOSBEHIUHQ-UHFFFAOYSA-N
XLogP2.15
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 106015202
4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 114129232
6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114129238
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591
2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80837433
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133326062
6-N-methyl-2-N-(thiophen-2-ylmethyl)pyrazine-2,6-diamine
CID 80771921
5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 102975903
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
3-tert-butyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952782
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine (CID 114129233) is 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine is CCc1cnc(CNc2cncc(NC)n2)s1.
What is the InChIKey of 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is LGMMIOSBEHIUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-3-8-4-15-11(17-8)7-14-10-6-13-5-9(12-2)16-10/h4-6H,3,7H2,1-2H3,(H2,12,14,16).
What are the key properties of 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 249.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 114129233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).