N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide

C13H10N2OS2 — CID 24660492

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1csc2ccccc12
InChIInChI=1S/C13H10N2OS2/c1-15-6-7-17-13(15)14-12(16)10-8-18-11-5-3-2-4-9(10)11/h2-8H,1H3/b14-13+
InChIKeyZSOGFEGZDJUXPJ-BUHFOSPRSA-N
MW274.37 g/mol
LogP3.04
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide (PubChem CID 24660492) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide
PubChem CID24660492
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1csc2ccccc12
InChIInChI=1S/C13H10N2OS2/c1-15-6-7-17-13(15)14-12(16)10-8-18-11-5-3-2-4-9(10)11/h2-8H,1H3/b14-13+
InChIKeyZSOGFEGZDJUXPJ-BUHFOSPRSA-N
XLogP3.04
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,3-thiazol-2-ylidene)-2-(trifluoromethyl)benzamide
CID 56777924
3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzofuran-2-carboxamide
CID 7944194
N-(3-methyl-1,3-thiazol-2-ylidene)quinoline-2-carboxamide
CID 9101394
N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-4-carboxamide
CID 31303207
N-(3-methyl-1,3-thiazol-2-ylidene)-2-piperidin-1-ylsulfonylbenzamide
CID 31289951
4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38163110
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 36864512
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31304870
4-(methylsulfonylmethyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9101363

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide (CID 24660492) is N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide is Cn1ccs/c1=N/C(=O)c1csc2ccccc12.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide?
The InChIKey is ZSOGFEGZDJUXPJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-15-6-7-17-13(15)14-12(16)10-8-18-11-5-3-2-4-9(10)11/h2-8H,1H3/b14-13+.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 24660492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).