2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide

C12H13N3O2S — CID 646325

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H13N3O2S/c1-17-10-5-3-2-4-9(10)15-11(16)6-8-7-18-12(13)14-8/h2-5,7H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeySCVAHUKCCFIESA-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.92
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 646325) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID646325
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H13N3O2S/c1-17-10-5-3-2-4-9(10)15-11(16)6-8-7-18-12(13)14-8/h2-5,7H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeySCVAHUKCCFIESA-UHFFFAOYSA-N
XLogP1.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide (CID 646325) is 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is SCVAHUKCCFIESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-17-10-5-3-2-4-9(10)15-11(16)6-8-7-18-12(13)14-8/h2-5,7H,6H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 646325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).