5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole

C9H6N2S2 — CID 12645050

IUPAC5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole
SMILESCc1cc2csnc2c2csnc12
InChIInChI=1S/C9H6N2S2/c1-5-2-6-3-12-11-9(6)7-4-13-10-8(5)7/h2-4H,1H3
InChIKeyNLFQQVPAEFOOEH-UHFFFAOYSA-N
MW206.30 g/mol
LogP3.21
Rot. Bonds

About 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole

5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole (PubChem CID 12645050) has the molecular formula C9H6N2S2 and a molecular weight of 206.30 g/mol. Its IUPAC name is 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole.

Molecular Properties

Compound Name5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole
PubChem CID12645050
Molecular FormulaC9H6N2S2
Molecular Weight206.30 g/mol
Exact Mass206.00
IUPAC Name5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole
SMILESCc1cc2csnc2c2csnc12
InChIInChI=1S/C9H6N2S2/c1-5-2-6-3-12-11-9(6)7-4-13-10-8(5)7/h2-4H,1H3
InChIKeyNLFQQVPAEFOOEH-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxybenzo[g][2,1]benzothiazole
CID 151898033
5-methyl-[1,2]thiazolo[3,4-b]pyridin-7-ium-6-carbonitrile
CID 173334557
7-methyl-[1,2]thiazolo[4,3-b]pyridine
CID 143569189
3-bromo-4-methyl-1,2-thiazole;ethane
CID 164527461
4,7-dibromo-5,6-difluoro-2,1-benzothiazole
CID 148590766
3,6,8-trimethylquinoline
CID 15109946
4-(6-fluoro-4,8-dimethylquinolin-2-yl)-1,2-thiazole
CID 169415942
6-fluoro-5,8-dimethylthieno[3,4-b]quinoxaline
CID 130209544
4-methyl-3-propyl-1,2-thiazole
CID 143329502
2,6-diiodo-3,7-dimethylnaphthalene
CID 153291059
ethane;2,3,6,7-tetramethylanthracene
CID 143651671
4-(5-amino-7-methyl-2,1,3-benzothiadiazol-4-yl)-7-methyl-2,1,3-benzothiadiazol-5-amine
CID 166512480

Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole?
The IUPAC name of 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole (CID 12645050) is 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole.
What is the SMILES notation for 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole?
The canonical SMILES for 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole is Cc1cc2csnc2c2csnc12.
What is the InChIKey of 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole?
The InChIKey is NLFQQVPAEFOOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2S2/c1-5-2-6-3-12-11-9(6)7-4-13-10-8(5)7/h2-4H,1H3.
What are the key properties of 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole?
5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole has a molecular weight of 206.30 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole is sourced from PubChem (CID 12645050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).