6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one

C10H7N3O2S — CID 22693688

IUPAC6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
SMILESNc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1
InChIInChI=1S/C10H7N3O2S/c11-9-12-7(4-16-9)5-1-2-6-8(3-5)15-10(14)13-6/h1-4H,(H2,11,12)(H,13,14)
InChIKeyTZUQTONJVNMLHG-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.83
Rot. Bonds1

About 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one

6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 22693688) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
PubChem CID22693688
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
SMILESNc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1
InChIInChI=1S/C10H7N3O2S/c11-9-12-7(4-16-9)5-1-2-6-8(3-5)15-10(14)13-6/h1-4H,(H2,11,12)(H,13,14)
InChIKeyTZUQTONJVNMLHG-UHFFFAOYSA-N
XLogP1.83
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 84567419
5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 116968071
6-(4-sulfanyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one
CID 116889686
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116970352
3-methyl-N-[[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]butanamide
CID 110350957
6-[2-(piperidin-3-ylamino)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 167799143
6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 82068607
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39072446
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761476
1-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]-3-phenylurea
CID 110351085

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one (CID 22693688) is 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one is Nc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1.
What is the InChIKey of 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is TZUQTONJVNMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S/c11-9-12-7(4-16-9)5-1-2-6-8(3-5)15-10(14)13-6/h1-4H,(H2,11,12)(H,13,14).
What are the key properties of 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one?
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 233.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 22693688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).