2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole

C13H12N2S — CID 114983413

IUPAC2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2=c3cc(C)c(C)cc3=N2)n1
InChIInChI=1S/C13H12N2S/c1-7-4-10-11(5-8(7)2)15-12(10)13-14-9(3)6-16-13/h4-6H,1-3H3
InChIKeyUBLJCTWYDXRCRV-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.86
Rot. Bonds1

About 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole

2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole (PubChem CID 114983413) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole
PubChem CID114983413
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2=c3cc(C)c(C)cc3=N2)n1
InChIInChI=1S/C13H12N2S/c1-7-4-10-11(5-8(7)2)15-12(10)13-14-9(3)6-16-13/h4-6H,1-3H3
InChIKeyUBLJCTWYDXRCRV-UHFFFAOYSA-N
XLogP1.86
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole with MolForge

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Related Compounds

4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
CID 173053610
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265
6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 163716006
4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole
CID 104808022
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
4-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole;4-methyl-1,3-thiazole
CID 159550357
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole (CID 114983413) is 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole is Cc1csc(C2=c3cc(C)c(C)cc3=N2)n1.
What is the InChIKey of 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole?
The InChIKey is UBLJCTWYDXRCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-7-4-10-11(5-8(7)2)15-12(10)13-14-9(3)6-16-13/h4-6H,1-3H3.
What are the key properties of 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole?
2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole has a molecular weight of 228.32 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 114983413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).