2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide

C11H10N6OS — CID 112525789

IUPAC2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C11H10N6OS/c12-10-4-14-17(16-10)5-11(18)15-7-1-2-8-9(3-7)19-6-13-8/h1-4,6H,5H2,(H2,12,16)(H,15,18)
InChIKeyRXKRIMPPBZDGPV-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.11
Rot. Bonds3

About 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide

2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide (PubChem CID 112525789) has the molecular formula C11H10N6OS and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide
PubChem CID112525789
Molecular FormulaC11H10N6OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC Name2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2ccc3ncsc3c2)n1
InChIInChI=1S/C11H10N6OS/c12-10-4-14-17(16-10)5-11(18)15-7-1-2-8-9(3-7)19-6-13-8/h1-4,6H,5H2,(H2,12,16)(H,15,18)
InChIKeyRXKRIMPPBZDGPV-UHFFFAOYSA-N
XLogP1.11
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[2-[2-(1,3-benzothiazol-6-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525808
2-(4-aminotriazol-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 112521529
2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide
CID 112527257
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
2-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxypropanamide
CID 135386759
2-(1,3-benzothiazol-6-yl)triazol-4-amine
CID 107806802
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
N-[1-[2-(1,3-benzothiazol-6-ylamino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525817
N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41085216
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide (CID 112525789) is 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide is Nc1cnn(CC(=O)Nc2ccc3ncsc3c2)n1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide?
The InChIKey is RXKRIMPPBZDGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS/c12-10-4-14-17(16-10)5-11(18)15-7-1-2-8-9(3-7)19-6-13-8/h1-4,6H,5H2,(H2,12,16)(H,15,18).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide?
2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide has a molecular weight of 274.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 112525789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).