N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide

C14H13N3OS2 — CID 29410627

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2sc3ccccc3c2C)s1
InChIInChI=1S/C14H13N3OS2/c1-3-11-16-17-14(20-11)15-13(18)12-8(2)9-6-4-5-7-10(9)19-12/h4-7H,3H2,1-2H3,(H,15,17,18)
InChIKeyLIVPVMGLNPBXLS-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.88
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 29410627) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID29410627
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCc1nnc(NC(=O)c2sc3ccccc3c2C)s1
InChIInChI=1S/C14H13N3OS2/c1-3-11-16-17-14(20-11)15-13(18)12-8(2)9-6-4-5-7-10(9)19-12/h4-7H,3H2,1-2H3,(H,15,17,18)
InChIKeyLIVPVMGLNPBXLS-UHFFFAOYSA-N
XLogP3.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24647540
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-1-benzothiophene-2-carboxamide
CID 2931449
N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110503312
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 2799314
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17446454
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 5408289

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide (CID 29410627) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide is CCc1nnc(NC(=O)c2sc3ccccc3c2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is LIVPVMGLNPBXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-3-11-16-17-14(20-11)15-13(18)12-8(2)9-6-4-5-7-10(9)19-12/h4-7H,3H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 29410627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).