N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide

C14H12N2OS2 — CID 43022086

IUPACN-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nc2ccccc2s1
InChIInChI=1S/C14H12N2OS2/c1-2-16(13(17)12-8-5-9-18-12)14-15-10-6-3-4-7-11(10)19-14/h3-9H,2H2,1H3
InChIKeyOFVVVDCZSNVXIS-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.02
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide (PubChem CID 43022086) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
PubChem CID43022086
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nc2ccccc2s1
InChIInChI=1S/C14H12N2OS2/c1-2-16(13(17)12-8-5-9-18-12)14-15-10-6-3-4-7-11(10)19-14/h3-9H,2H2,1H3
InChIKeyOFVVVDCZSNVXIS-UHFFFAOYSA-N
XLogP4.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654
N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 18193231
N-[2-(diethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 44947342
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 34191800
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7507525
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615785
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615801

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide (CID 43022086) is N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1cccs1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide?
The InChIKey is OFVVVDCZSNVXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-2-16(13(17)12-8-5-9-18-12)14-15-10-6-3-4-7-11(10)19-14/h3-9H,2H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 43022086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).