N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide

C12H10N4O2S — CID 88979793

IUPACN-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc3oc(N)nc3c2)s1
InChIInChI=1S/C12H10N4O2S/c1-6(17)15-12-14-5-10(19-12)7-2-3-9-8(4-7)16-11(13)18-9/h2-5H,1H3,(H2,13,16)(H,14,15,17)
InChIKeyFKKXHWAAZRCNJT-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.49
Rot. Bonds2

About N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide

N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 88979793) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID88979793
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC NameN-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(-c2ccc3oc(N)nc3c2)s1
InChIInChI=1S/C12H10N4O2S/c1-6(17)15-12-14-5-10(19-12)7-2-3-9-8(4-7)16-11(13)18-9/h2-5H,1H3,(H2,13,16)(H,14,15,17)
InChIKeyFKKXHWAAZRCNJT-UHFFFAOYSA-N
XLogP2.49
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 88979793) is N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(-c2ccc3oc(N)nc3c2)s1.
What is the InChIKey of N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FKKXHWAAZRCNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-6(17)15-12-14-5-10(19-12)7-2-3-9-8(4-7)16-11(13)18-9/h2-5H,1H3,(H2,13,16)(H,14,15,17).
What are the key properties of N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 274.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 88979793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).