2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide

C12H17N3O2S — CID 19920390

IUPAC2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCN1C2=C(CC(=O)C=C2)SC1CCNC(=O)CN
InChIInChI=1S/C12H17N3O2S/c1-15-9-3-2-8(16)6-10(9)18-12(15)4-5-14-11(17)7-13/h2-3,12H,4-7,13H2,1H3,(H,14,17)
InChIKeyYVGQSIIDYDYSTG-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide

2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 19920390) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID19920390
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCN1C2=C(CC(=O)C=C2)SC1CCNC(=O)CN
InChIInChI=1S/C12H17N3O2S/c1-15-9-3-2-8(16)6-10(9)18-12(15)4-5-14-11(17)7-13/h2-3,12H,4-7,13H2,1H3,(H,14,17)
InChIKeyYVGQSIIDYDYSTG-UHFFFAOYSA-N
XLogP0.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 19920390) is 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide is CN1C2=C(CC(=O)C=C2)SC1CCNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is YVGQSIIDYDYSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15-9-3-2-8(16)6-10(9)18-12(15)4-5-14-11(17)7-13/h2-3,12H,4-7,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 267.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methyl-6-oxo-2,7-dihydro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 19920390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).