N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide

C18H17N3O2S — CID 45495678

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2snnc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-15-9-7-13(8-10-15)11-12-19-18(22)17-16(20-21-24-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyVFKACEVZDVPGKT-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide (PubChem CID 45495678) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
PubChem CID45495678
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2snnc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-15-9-7-13(8-10-15)11-12-19-18(22)17-16(20-21-24-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyVFKACEVZDVPGKT-UHFFFAOYSA-N
XLogP3.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-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

4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
CID 100747726
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
methyl (2R)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-phenylpropanoate
CID 71844012
N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45491902
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide
CID 100775104
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide (CID 45495678) is N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide is COc1ccc(CCNC(=O)c2snnc2-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide?
The InChIKey is VFKACEVZDVPGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-15-9-7-13(8-10-15)11-12-19-18(22)17-16(20-21-24-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 45495678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).