6-methylidene-5H-1,3-benzothiazole

C8H7NS — CID 140784051

IUPAC6-methylidene-5H-1,3-benzothiazole
SMILESC=C1C=c2scnc2=CC1
InChIInChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h3-5H,1-2H2
InChIKeyRUYFHHNQXQUYJA-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.66
Rot. Bonds

About 6-methylidene-5H-1,3-benzothiazole

6-methylidene-5H-1,3-benzothiazole (PubChem CID 140784051) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 6-methylidene-5H-1,3-benzothiazole.

Molecular Properties

Compound Name6-methylidene-5H-1,3-benzothiazole
PubChem CID140784051
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name6-methylidene-5H-1,3-benzothiazole
SMILESC=C1C=c2scnc2=CC1
InChIInChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h3-5H,1-2H2
InChIKeyRUYFHHNQXQUYJA-UHFFFAOYSA-N
XLogP0.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-4H-1,3-benzothiazol-4-ide;vanadium
CID 58775348
7-methyl-5H-1,3-benzothiazol-5-ide;vanadium
CID 58775459
4-methyl-7H-1,3-benzothiazol-7-ide;vanadium
CID 58775463
4-methyl-6H-1,3-benzothiazol-6-ide;vanadium
CID 58775489
5,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 68103463
5,6-Dihydro-1,3-benzothiazole
CID 70424258
8H-indeno[1,2-d][1,3]thiazole
CID 87388293
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
6-Methyl-5,6-dihydro-1,3-benzothiazole
CID 89474199
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-5H-1,3-benzothiazole?
The IUPAC name of 6-methylidene-5H-1,3-benzothiazole (CID 140784051) is 6-methylidene-5H-1,3-benzothiazole.
What is the SMILES notation for 6-methylidene-5H-1,3-benzothiazole?
The canonical SMILES for 6-methylidene-5H-1,3-benzothiazole is C=C1C=c2scnc2=CC1.
What is the InChIKey of 6-methylidene-5H-1,3-benzothiazole?
The InChIKey is RUYFHHNQXQUYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h3-5H,1-2H2.
What are the key properties of 6-methylidene-5H-1,3-benzothiazole?
6-methylidene-5H-1,3-benzothiazole has a molecular weight of 149.22 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-5H-1,3-benzothiazole is sourced from PubChem (CID 140784051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).