2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide

C14H13N3O2S — CID 115286986

IUPAC2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
SMILESCc1nc2cc(NC(=O)C(N)c3cccs3)ccc2o1
InChIInChI=1S/C14H13N3O2S/c1-8-16-10-7-9(4-5-11(10)19-8)17-14(18)13(15)12-3-2-6-20-12/h2-7,13H,15H2,1H3,(H,17,18)
InChIKeyRCTOAHPBWSYTAG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide

2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide (PubChem CID 115286986) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
PubChem CID115286986
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
SMILESCc1nc2cc(NC(=O)C(N)c3cccs3)ccc2o1
InChIInChI=1S/C14H13N3O2S/c1-8-16-10-7-9(4-5-11(10)19-8)17-14(18)13(15)12-3-2-6-20-12/h2-7,13H,15H2,1H3,(H,17,18)
InChIKeyRCTOAHPBWSYTAG-UHFFFAOYSA-N
XLogP2.84
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286345
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706
N-[3-(1H-indol-3-yl)-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42919974
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide (CID 115286986) is 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide is Cc1nc2cc(NC(=O)C(N)c3cccs3)ccc2o1.
What is the InChIKey of 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide?
The InChIKey is RCTOAHPBWSYTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-16-10-7-9(4-5-11(10)19-8)17-14(18)13(15)12-3-2-6-20-12/h2-7,13H,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide?
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide has a molecular weight of 287.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115286986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).