2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide

C12H13N3OS — CID 110459394

IUPAC2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1ccccc1-c1nccs1
InChIInChI=1S/C12H13N3OS/c13-7-11(16)15-8-9-3-1-2-4-10(9)12-14-5-6-17-12/h1-6H,7-8,13H2,(H,15,16)
InChIKeyDEVTXOMGVTYRFR-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.38
Rot. Bonds4

About 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide

2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide (PubChem CID 110459394) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
PubChem CID110459394
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
SMILESNCC(=O)NCc1ccccc1-c1nccs1
InChIInChI=1S/C12H13N3OS/c13-7-11(16)15-8-9-3-1-2-4-10(9)12-14-5-6-17-12/h1-6H,7-8,13H2,(H,15,16)
InChIKeyDEVTXOMGVTYRFR-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide (CID 110459394) is 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide is NCC(=O)NCc1ccccc1-c1nccs1.
What is the InChIKey of 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The InChIKey is DEVTXOMGVTYRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-7-11(16)15-8-9-3-1-2-4-10(9)12-14-5-6-17-12/h1-6H,7-8,13H2,(H,15,16).
What are the key properties of 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide?
2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide has a molecular weight of 247.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 110459394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).