2,4-dihydro-1,3-benzothiazole

C7H7NS — CID 50923656

IUPAC2,4-dihydro-1,3-benzothiazole
SMILESC1=CCC2=NCSC2=C1
InChIInChI=1S/C7H7NS/c1-2-4-7-6(3-1)8-5-9-7/h1-2,4H,3,5H2
InChIKeySRTGUVICQPIWOY-UHFFFAOYSA-N
MW137.21 g/mol
LogP1.98
Rot. Bonds

About 2,4-dihydro-1,3-benzothiazole

2,4-dihydro-1,3-benzothiazole (PubChem CID 50923656) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is 2,4-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2,4-dihydro-1,3-benzothiazole
PubChem CID50923656
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name2,4-dihydro-1,3-benzothiazole
SMILESC1=CCC2=NCSC2=C1
InChIInChI=1S/C7H7NS/c1-2-4-7-6(3-1)8-5-9-7/h1-2,4H,3,5H2
InChIKeySRTGUVICQPIWOY-UHFFFAOYSA-N
XLogP1.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-cyclopenta[d][1,3]thiazole
CID 68680992
Indeno[2,1-d]thiazole
CID 129738493
2,4,5,6-Tetrahydro-1,3-benzothiazole
CID 19000519
6-methylidene-2H-1,3-benzothiazole
CID 23283920
2H-Indeno[5,6-D]thiazole
CID 45077401
1-ethyl-2H-1,3-benzothiazole
CID 57149168
2,4,5,7a-Tetrahydro-1,3-benzothiazole
CID 57194343
2H-cyclohepta[d][1,3]thiazole
CID 68681003
1-prop-2-enyl-2H-1,3-benzothiazole
CID 88222840
2H-cyclopenta[g][1,3]benzothiazole
CID 88447412
1-ethyl-2H-1,3-benzothiazol-2-ylium iodide
CID 88634789
(5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole
CID 123544736

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1,3-benzothiazole?
The IUPAC name of 2,4-dihydro-1,3-benzothiazole (CID 50923656) is 2,4-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2,4-dihydro-1,3-benzothiazole?
The canonical SMILES for 2,4-dihydro-1,3-benzothiazole is C1=CCC2=NCSC2=C1.
What is the InChIKey of 2,4-dihydro-1,3-benzothiazole?
The InChIKey is SRTGUVICQPIWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS/c1-2-4-7-6(3-1)8-5-9-7/h1-2,4H,3,5H2.
What are the key properties of 2,4-dihydro-1,3-benzothiazole?
2,4-dihydro-1,3-benzothiazole has a molecular weight of 137.21 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1,3-benzothiazole is sourced from PubChem (CID 50923656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).