N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C13H11N3O2S2 — CID 9193483

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H11N3O2S2/c1-8-7-19-13(18)16(8)6-11(17)15-12-14-9-4-2-3-5-10(9)20-12/h2-5,7H,6H2,1H3,(H,14,15,17)
InChIKeyUVZGTOSMKVXKCH-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.47
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 9193483) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID9193483
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H11N3O2S2/c1-8-7-19-13(18)16(8)6-11(17)15-12-14-9-4-2-3-5-10(9)20-12/h2-5,7H,6H2,1H3,(H,14,15,17)
InChIKeyUVZGTOSMKVXKCH-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 9193483) is N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is UVZGTOSMKVXKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-8-7-19-13(18)16(8)6-11(17)15-12-14-9-4-2-3-5-10(9)20-12/h2-5,7H,6H2,1H3,(H,14,15,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 9193483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).