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

C17H15N3OS2 — CID 2933934

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1csc2c1CCCC2
InChIInChI=1S/C17H15N3OS2/c21-15(13-10-22-14-9-5-4-8-12(13)14)18-17-20-19-16(23-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,18,20,21)
InChIKeyBYXMTIRLQYKMHE-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.40
Rot. Bonds3

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

N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 2933934) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID2933934
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1csc2c1CCCC2
InChIInChI=1S/C17H15N3OS2/c21-15(13-10-22-14-9-5-4-8-12(13)14)18-17-20-19-16(23-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,18,20,21)
InChIKeyBYXMTIRLQYKMHE-UHFFFAOYSA-N
XLogP4.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3733180
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1247777
N-[5-(4-Methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 569511
N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 644784
3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 659514

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 2933934) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)c1csc2c1CCCC2.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is BYXMTIRLQYKMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c21-15(13-10-22-14-9-5-4-8-12(13)14)18-17-20-19-16(23-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,18,20,21).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2933934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).