N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C23H22N4OS3 — CID 46444098

IUPACN-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc(CN3CCc4sccc4C3c3cccs3)s2)cc1
InChIInChI=1S/C23H22N4OS3/c1-2-15-5-7-16(8-6-15)24-22(28)23-26-25-20(31-23)14-27-11-9-18-17(10-13-30-18)21(27)19-4-3-12-29-19/h3-8,10,12-13,21H,2,9,11,14H2,1H3,(H,24,28)
InChIKeyKHZOXMHZTLOGTA-UHFFFAOYSA-N
MW466.66 g/mol
LogP5.62
Rot. Bonds6

About N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46444098) has the molecular formula C23H22N4OS3 and a molecular weight of 466.66 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46444098
Molecular FormulaC23H22N4OS3
Molecular Weight466.66 g/mol
Exact Mass466.10
IUPAC NameN-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nnc(CN3CCc4sccc4C3c3cccs3)s2)cc1
InChIInChI=1S/C23H22N4OS3/c1-2-15-5-7-16(8-6-15)24-22(28)23-26-25-20(31-23)14-27-11-9-18-17(10-13-30-18)21(27)19-4-3-12-29-19/h3-8,10,12-13,21H,2,9,11,14H2,1H3,(H,24,28)
InChIKeyKHZOXMHZTLOGTA-UHFFFAOYSA-N
XLogP5.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.66
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide with MolForge

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Related Compounds

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N-[4-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]phenyl]acetamide
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CID 26671732
N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
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N-(4-ethylphenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 112822859
methyl 3-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]thiophene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 46444098) is N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CCc1ccc(NC(=O)c2nnc(CN3CCc4sccc4C3c3cccs3)s2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KHZOXMHZTLOGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS3/c1-2-15-5-7-16(8-6-15)24-22(28)23-26-25-20(31-23)14-27-11-9-18-17(10-13-30-18)21(27)19-4-3-12-29-19/h3-8,10,12-13,21H,2,9,11,14H2,1H3,(H,24,28).
What are the key properties of N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 466.66 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46444098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).