N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

C17H14ClN3O2S — CID 45491902

IUPACN-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-23-14-7-5-12(6-8-14)15-16(24-21-20-15)17(22)19-10-11-3-2-4-13(18)9-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyAFFPEGZPLALABD-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.80
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 45491902) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID45491902
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-23-14-7-5-12(6-8-14)15-16(24-21-20-15)17(22)19-10-11-3-2-4-13(18)9-11/h2-9H,10H2,1H3,(H,19,22)
InChIKeyAFFPEGZPLALABD-UHFFFAOYSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
CID 100747726
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 100747676
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
methyl (2R)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-phenylpropanoate
CID 71844012
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
N-[(3-chlorophenyl)methyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7240897

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (CID 45491902) is N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is COc1ccc(-c2nnsc2C(=O)NCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is AFFPEGZPLALABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-23-14-7-5-12(6-8-14)15-16(24-21-20-15)17(22)19-10-11-3-2-4-13(18)9-11/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45491902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).