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

C10H7N3OS — CID 45077726

IUPACN-(2-cyano-1,3-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2nc(C#N)sc2c1
InChIInChI=1S/C10H7N3OS/c1-6(14)12-7-2-3-8-9(4-7)15-10(5-11)13-8/h2-4H,1H3,(H,12,14)
InChIKeyJSHKOWBTIQMRTC-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.13
Rot. Bonds1

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

N-(2-cyano-1,3-benzothiazol-6-yl)acetamide (PubChem CID 45077726) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is N-(2-cyano-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-1,3-benzothiazol-6-yl)acetamide
PubChem CID45077726
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC NameN-(2-cyano-1,3-benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2nc(C#N)sc2c1
InChIInChI=1S/C10H7N3OS/c1-6(14)12-7-2-3-8-9(4-7)15-10(5-11)13-8/h2-4H,1H3,(H,12,14)
InChIKeyJSHKOWBTIQMRTC-UHFFFAOYSA-N
XLogP2.13
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-cyano-1,3-benzothiazol-6-yl)carbamate
CID 58427735
6-[(4-methyl-6-oxohept-1-en-2-yl)amino]-1,3-benzothiazole-2-carbonitrile
CID 144704176
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide
CID 892329
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetic acid
CID 653086
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
tert-butyl N-[3-[2-[2-[3-[[4-[(2-cyano-1,3-benzothiazol-6-yl)amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
CID 86726266
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-[2-(3-chloro-4-hydroxyanilino)-1,3-benzothiazol-6-yl]acetamide
CID 142733972
N-(2-ethynyl-1,3-benzothiazol-6-yl)-3-methylbutanamide
CID 130283691
N-(3-cyanoquinolin-6-yl)acetamide
CID 139970068

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of N-(2-cyano-1,3-benzothiazol-6-yl)acetamide (CID 45077726) is N-(2-cyano-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for N-(2-cyano-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for N-(2-cyano-1,3-benzothiazol-6-yl)acetamide is CC(=O)Nc1ccc2nc(C#N)sc2c1.
What is the InChIKey of N-(2-cyano-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is JSHKOWBTIQMRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-6(14)12-7-2-3-8-9(4-7)15-10(5-11)13-8/h2-4H,1H3,(H,12,14).
What are the key properties of N-(2-cyano-1,3-benzothiazol-6-yl)acetamide?
N-(2-cyano-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 217.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 45077726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).