2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one

C7H8N2OS — CID 587850

IUPAC2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESNc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9)
InChIKeyJAZOMJIYYHHUBH-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.24
Rot. Bonds

About 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 587850) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID587850
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESNc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9)
InChIKeyJAZOMJIYYHHUBH-UHFFFAOYSA-N
XLogP1.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one
CID 587874
5-Acetyl-2-amino-4-methylthiazole
CID 720882
2-Piperidin-1-yl-5,6-dihydro-4H-benzothiazol-7-one
CID 616821
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
CID 2939591
N-(7-Oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 597793
2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
CID 14913369
5,5-Dimethyl-2-(methylamino)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 3123575
2-Amino-4,5-dihydrobenzo(D)thiazol-6(7H)-one
CID 9877485
2-amino-4H,5H,6H-cyclopenta(d)(1,3)thiazol-6-one
CID 11852658
1-(2-Amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 12236850
2-Amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-one
CID 21941906
2-amino-4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-8-one
CID 25130828

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 587850) is 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one is Nc1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is JAZOMJIYYHHUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9).
What are the key properties of 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 168.22 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 587850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).