2-acetamido-1,3-benzothiazole-6-carboxamide

C10H9N3O2S — CID 816956

IUPAC2-acetamido-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)Nc1nc2ccc(C(N)=O)cc2s1
InChIInChI=1S/C10H9N3O2S/c1-5(14)12-10-13-7-3-2-6(9(11)15)4-8(7)16-10/h2-4H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyJYKFJDOJASDJSM-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.35
Rot. Bonds2

About 2-acetamido-1,3-benzothiazole-6-carboxamide

2-acetamido-1,3-benzothiazole-6-carboxamide (PubChem CID 816956) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-acetamido-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-acetamido-1,3-benzothiazole-6-carboxamide
PubChem CID816956
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-acetamido-1,3-benzothiazole-6-carboxamide
SMILESCC(=O)Nc1nc2ccc(C(N)=O)cc2s1
InChIInChI=1S/C10H9N3O2S/c1-5(14)12-10-13-7-3-2-6(9(11)15)4-8(7)16-10/h2-4H,1H3,(H2,11,15)(H,12,13,14)
InChIKeyJYKFJDOJASDJSM-UHFFFAOYSA-N
XLogP1.35
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-acetamido-1,3-benzothiazole-6-carboxylate
CID 15103757
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
N-[6-[(1-amino-2-chloroethylidene)amino]-1,3-benzothiazol-2-yl]acetamide
CID 169367007
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
2-(dimethylcarbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 79154501
propan-2-yl N-(6-acetyl-1,3-benzothiazol-2-yl)carbamate
CID 145490728
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(4-acetamidophenyl)-2-(pyridin-4-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117086862
2-(2,3-dimethylbutanoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348581
N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
CID 59896475
N-(6-azido-1,3-benzothiazol-2-yl)acetamide
CID 151985383
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-acetamido-1,3-benzothiazole-6-carboxamide (CID 816956) is 2-acetamido-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-acetamido-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-acetamido-1,3-benzothiazole-6-carboxamide is CC(=O)Nc1nc2ccc(C(N)=O)cc2s1.
What is the InChIKey of 2-acetamido-1,3-benzothiazole-6-carboxamide?
The InChIKey is JYKFJDOJASDJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-5(14)12-10-13-7-3-2-6(9(11)15)4-8(7)16-10/h2-4H,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-acetamido-1,3-benzothiazole-6-carboxamide?
2-acetamido-1,3-benzothiazole-6-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 816956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).