6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H21N3OS2 — CID 4641734

IUPAC6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2csc3c2CCC(CC)C3)s1
InChIInChI=1S/C16H21N3OS2/c1-3-5-14-18-19-16(22-14)17-15(20)12-9-21-13-8-10(4-2)6-7-11(12)13/h9-10H,3-8H2,1-2H3,(H,17,19,20)
InChIKeyGEGCZIMLJPMIPU-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.32
Rot. Bonds5

About 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 4641734) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID4641734
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2csc3c2CCC(CC)C3)s1
InChIInChI=1S/C16H21N3OS2/c1-3-5-14-18-19-16(22-14)17-15(20)12-9-21-13-8-10(4-2)6-7-11(12)13/h9-10H,3-8H2,1-2H3,(H,17,19,20)
InChIKeyGEGCZIMLJPMIPU-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-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

(6S)-6-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 941570
6-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5219360
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4315120
N-(2,3-dichlorophenyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3972569
ethyl 2-[(6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 3585031
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
methyl 6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 114748207
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 110484349
2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 108808572
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 4641734) is 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCCc1nnc(NC(=O)c2csc3c2CCC(CC)C3)s1.
What is the InChIKey of 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is GEGCZIMLJPMIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-3-5-14-18-19-16(22-14)17-15(20)12-9-21-13-8-10(4-2)6-7-11(12)13/h9-10H,3-8H2,1-2H3,(H,17,19,20).
What are the key properties of 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 335.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 4641734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).