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

C18H16ClN3O2S — CID 100747726

IUPAC4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2snnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-24-15-8-2-12(3-9-15)10-11-20-18(23)17-16(21-22-25-17)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyQBJRLJGMHLKTJA-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.84
Rot. Bonds6

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

4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide (PubChem CID 100747726) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
PubChem CID100747726
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2snnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-24-15-8-2-12(3-9-15)10-11-20-18(23)17-16(21-22-25-17)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyQBJRLJGMHLKTJA-UHFFFAOYSA-N
XLogP3.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 100747676
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45491902
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 46091792
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 51718226
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide (CID 100747726) is 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide is COc1ccc(CCNC(=O)c2snnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is QBJRLJGMHLKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-24-15-8-2-12(3-9-15)10-11-20-18(23)17-16(21-22-25-17)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide?
4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 100747726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).