3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline

C12H10N4S — CID 106678176

IUPAC3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline
SMILESCc1cccc(N)c1-c1nc2nccnc2s1
InChIInChI=1S/C12H10N4S/c1-7-3-2-4-8(13)9(7)11-16-10-12(17-11)15-6-5-14-10/h2-6H,13H2,1H3
InChIKeyFONYFJZRDVEUGB-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.64
Rot. Bonds1

About 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline

3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline (PubChem CID 106678176) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline.

Molecular Properties

Compound Name3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline
PubChem CID106678176
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline
SMILESCc1cccc(N)c1-c1nc2nccnc2s1
InChIInChI=1S/C12H10N4S/c1-7-3-2-4-8(13)9(7)11-16-10-12(17-11)15-6-5-14-10/h2-6H,13H2,1H3
InChIKeyFONYFJZRDVEUGB-UHFFFAOYSA-N
XLogP2.64
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-pyrazol-3-amine
CID 66768027
2-(2,6-dimethylphenyl)pyrazine
CID 91666747
3-methyl-2-(4-methyl-3-pyridinyl)aniline
CID 66714555
3-methyl-2-pyridin-3-ylaniline
CID 22482419
3-bromo-6-(2,6-dimethylphenyl)pyrazin-2-amine
CID 163248384
3-methylbenzene-1,2-diamine
CID 162019775
3-methyl-1,8-naphthyridin-2-amine
CID 89289464
3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline
CID 61394643
methoxymethane;3-methylpyridin-2-amine
CID 142348172
3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114876623
2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 175739771
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline?
The IUPAC name of 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline (CID 106678176) is 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline.
What is the SMILES notation for 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline?
The canonical SMILES for 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline is Cc1cccc(N)c1-c1nc2nccnc2s1.
What is the InChIKey of 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline?
The InChIKey is FONYFJZRDVEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-7-3-2-4-8(13)9(7)11-16-10-12(17-11)15-6-5-14-10/h2-6H,13H2,1H3.
What are the key properties of 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline?
3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline has a molecular weight of 242.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)aniline is sourced from PubChem (CID 106678176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).