(5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid

C7H8N2O2S — CID 40607834

IUPAC(5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2snnc2C1
InChIInChI=1S/C7H8N2O2S/c10-7(11)4-1-2-6-5(3-4)8-9-12-6/h4H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKeyMEWXCAVPTXQJBS-SCSAIBSYSA-N
MW184.22 g/mol
LogP0.73
Rot. Bonds1

About (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid

(5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid (PubChem CID 40607834) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid
PubChem CID40607834
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name(5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2snnc2C1
InChIInChI=1S/C7H8N2O2S/c10-7(11)4-1-2-6-5(3-4)8-9-12-6/h4H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKeyMEWXCAVPTXQJBS-SCSAIBSYSA-N
XLogP0.73
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 86313335
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 59167670
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 15101103
3-chloro-5,6,7,8-tetrahydrocinnoline-6-carboxylic acid
CID 91811783
3-oxocyclopentane-1-carboxylic acid
CID 175785263
3-methylidenecyclopentane-1-carboxylic acid
CID 18614353
(6R)-2,4-dichloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid
CID 90287356
5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
CID 83816750
3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylic acid
CID 82407989
4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine
CID 82416293
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid
CID 129024324

Frequently Asked Questions

What is the IUPAC name of (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid?
The IUPAC name of (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid (CID 40607834) is (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid.
What is the SMILES notation for (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid?
The canonical SMILES for (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid is O=C(O)[C@@H]1CCc2snnc2C1.
What is the InChIKey of (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid?
The InChIKey is MEWXCAVPTXQJBS-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c10-7(11)4-1-2-6-5(3-4)8-9-12-6/h4H,1-3H2,(H,10,11)/t4-/m1/s1.
What are the key properties of (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid?
(5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,5,6,7-tetrahydro-1,2,3-benzothiadiazole-5-carboxylic acid is sourced from PubChem (CID 40607834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).