(7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid

C8H9NO2S — CID 124547744

IUPAC(7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid
SMILESO=C(O)[C@H]1CCCc2ncsc21
InChIInChI=1S/C8H9NO2S/c10-8(11)5-2-1-3-6-7(5)12-4-9-6/h4-5H,1-3H2,(H,10,11)/t5-/m0/s1
InChIKeyZLDYXIBJPUNUPD-YFKPBYRVSA-N
MW183.23 g/mol
LogP1.65
Rot. Bonds1

About (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid

(7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid (PubChem CID 124547744) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid
PubChem CID124547744
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name(7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid
SMILESO=C(O)[C@H]1CCCc2ncsc21
InChIInChI=1S/C8H9NO2S/c10-8(11)5-2-1-3-6-7(5)12-4-9-6/h4-5H,1-3H2,(H,10,11)/t5-/m0/s1
InChIKeyZLDYXIBJPUNUPD-YFKPBYRVSA-N
XLogP1.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide
CID 90303665
N-[(4-chlorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxamide
CID 78318544
7-methoxy-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 23038095
(7S)-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole-7-carboxylic acid
CID 124674332
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid
CID 84683323
(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 162494432
N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079691
2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxylic acid
CID 90303456
2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid
CID 83861952
N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078789
2-chloro-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxylic acid
CID 83910063
2-chloro-4,5,6,7-tetrahydro-1,3-benzoxazole-7-carboxylic acid
CID 84670281

Frequently Asked Questions

What is the IUPAC name of (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid?
The IUPAC name of (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid (CID 124547744) is (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid.
What is the SMILES notation for (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid?
The canonical SMILES for (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid is O=C(O)[C@H]1CCCc2ncsc21.
What is the InChIKey of (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid?
The InChIKey is ZLDYXIBJPUNUPD-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-8(11)5-2-1-3-6-7(5)12-4-9-6/h4-5H,1-3H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid?
(7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid has a molecular weight of 183.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid is sourced from PubChem (CID 124547744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).