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

C12H17N5S — CID 113387591

IUPAC2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
SMILESCCc1cnc(C(C)Nc2cncc(NC)n2)s1
InChIInChI=1S/C12H17N5S/c1-4-9-5-15-12(18-9)8(2)16-11-7-14-6-10(13-3)17-11/h5-8H,4H2,1-3H3,(H2,13,16,17)
InChIKeyRKHOLBFRZZBZSZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.71
Rot. Bonds5

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

2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 113387591) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID113387591
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
SMILESCCc1cnc(C(C)Nc2cncc(NC)n2)s1
InChIInChI=1S/C12H17N5S/c1-4-9-5-15-12(18-9)8(2)16-11-7-14-6-10(13-3)17-11/h5-8H,4H2,1-3H3,(H2,13,16,17)
InChIKeyRKHOLBFRZZBZSZ-UHFFFAOYSA-N
XLogP2.71
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxamide
CID 133335711
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 112697226
2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 114129233
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448693
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
2-cyclopropyl-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136976762
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 97059499
3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133335763
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329698
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine (CID 113387591) is 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine is CCc1cnc(C(C)Nc2cncc(NC)n2)s1.
What is the InChIKey of 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is RKHOLBFRZZBZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-9-5-15-12(18-9)8(2)16-11-7-14-6-10(13-3)17-11/h5-8H,4H2,1-3H3,(H2,13,16,17).
What are the key properties of 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 113387591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).