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

C14H17N3OS2 — CID 3158986

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1
InChIInChI=1S/C14H17N3OS2/c1-3-12-16-17-14(20-12)15-13(18)10-7-19-11-6-8(2)4-5-9(10)11/h7-8H,3-6H2,1-2H3,(H,15,17,18)
InChIKeyXOBODSXIUJMSFJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.54
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3158986) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3158986
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1
InChIInChI=1S/C14H17N3OS2/c1-3-12-16-17-14(20-12)15-13(18)10-7-19-11-6-8(2)4-5-9(10)11/h7-8H,3-6H2,1-2H3,(H,15,17,18)
InChIKeyXOBODSXIUJMSFJ-UHFFFAOYSA-N
XLogP3.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2567184
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 25162698
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-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
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyl-3-thiophenecarboxamide
CID 1245519
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-thiophenecarboxamide
CID 1245673
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245900
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 2595057
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2960053
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3158985

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3158986) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is XOBODSXIUJMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-3-12-16-17-14(20-12)15-13(18)10-7-19-11-6-8(2)4-5-9(10)11/h7-8H,3-6H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.54, 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)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3158986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).