2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide

C10H11N3OS — CID 4313659

IUPAC2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)CN)ccc2s1
InChIInChI=1S/C10H11N3OS/c1-6-12-8-4-7(13-10(14)5-11)2-3-9(8)15-6/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyGQTQBLMLMUQBQN-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide

2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide (PubChem CID 4313659) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
PubChem CID4313659
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)CN)ccc2s1
InChIInChI=1S/C10H11N3OS/c1-6-12-8-4-7(13-10(14)5-11)2-3-9(8)15-6/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyGQTQBLMLMUQBQN-UHFFFAOYSA-N
XLogP1.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.50
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-methyl-1,3-benzothiazol-5-yl)acetamide?
The IUPAC name of 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide (CID 4313659) is 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide is Cc1nc2cc(NC(=O)CN)ccc2s1.
What is the InChIKey of 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
The InChIKey is GQTQBLMLMUQBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-12-8-4-7(13-10(14)5-11)2-3-9(8)15-6/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide?
2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide has a molecular weight of 221.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide is sourced from PubChem (CID 4313659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).