N-(1,2-benzothiazol-6-yl)formamide

C8H6N2OS — CID 139505568

IUPACN-(1,2-benzothiazol-6-yl)formamide
SMILESO=CNc1ccc2cnsc2c1
InChIInChI=1S/C8H6N2OS/c11-5-9-7-2-1-6-4-10-12-8(6)3-7/h1-5H,(H,9,11)
InChIKeyOWPJXWFHRCGSAJ-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.86
Rot. Bonds2

About N-(1,2-benzothiazol-6-yl)formamide

N-(1,2-benzothiazol-6-yl)formamide (PubChem CID 139505568) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is N-(1,2-benzothiazol-6-yl)formamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-6-yl)formamide
PubChem CID139505568
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC NameN-(1,2-benzothiazol-6-yl)formamide
SMILESO=CNc1ccc2cnsc2c1
InChIInChI=1S/C8H6N2OS/c11-5-9-7-2-1-6-4-10-12-8(6)3-7/h1-5H,(H,9,11)
InChIKeyOWPJXWFHRCGSAJ-UHFFFAOYSA-N
XLogP1.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyl-1,2-benzisothiazol-6-amine
CID 12614603
1-(1,2-Benzothiazol-6-yl)-3-[(4-fluorophenyl)methyl]urea
CID 70645052
tert-butyl N-(7-fluoro-1,2-benzothiazol-6-yl)carbamate
CID 166539675
7-fluoro-N-methyl-1,2-benzothiazol-6-amine
CID 167245097
N,N-diethyl-1,2-benzothiazol-6-amine
CID 12614604
1-(1,2-Benzothiazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 119053085
N-(1,2-benzothiazol-5-yl)-2-fluoroprop-2-enamide
CID 167960801
Benzo[d]isothiazol-6-amine
CID 18373420
N-[3-(1-butylpiperidin-4-yl)-1,2-benzothiazol-6-yl]formamide
CID 54366338
N-tert-butyl-1,2-benzothiazol-5-amine
CID 58710019
tert-butyl N-[2-(1,2-benzothiazol-6-ylamino)ethyl]-N-propylcarbamate
CID 68250545
2-(1,2-benzothiazol-6-ylamino)-N,N-diethylacetamide
CID 68250551

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-6-yl)formamide?
The IUPAC name of N-(1,2-benzothiazol-6-yl)formamide (CID 139505568) is N-(1,2-benzothiazol-6-yl)formamide.
What is the SMILES notation for N-(1,2-benzothiazol-6-yl)formamide?
The canonical SMILES for N-(1,2-benzothiazol-6-yl)formamide is O=CNc1ccc2cnsc2c1.
What is the InChIKey of N-(1,2-benzothiazol-6-yl)formamide?
The InChIKey is OWPJXWFHRCGSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-5-9-7-2-1-6-4-10-12-8(6)3-7/h1-5H,(H,9,11).
What are the key properties of N-(1,2-benzothiazol-6-yl)formamide?
N-(1,2-benzothiazol-6-yl)formamide has a molecular weight of 178.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-6-yl)formamide is sourced from PubChem (CID 139505568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).