N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

C20H16N4O2S — CID 100775097

IUPACN-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1
InChIInChI=1S/C20H16N4O2S/c1-26-16-8-2-13(3-9-16)17-18(27-24-23-17)19(25)22-15-6-4-14(5-7-15)20(12-21)10-11-20/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyBXXIURMUPPQJLD-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.02
Rot. Bonds5

About N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide

N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 100775097) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID100775097
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1
InChIInChI=1S/C20H16N4O2S/c1-26-16-8-2-13(3-9-16)17-18(27-24-23-17)19(25)22-15-6-4-14(5-7-15)20(12-21)10-11-20/h2-9H,10-11H2,1H3,(H,22,25)
InChIKeyBXXIURMUPPQJLD-UHFFFAOYSA-N
XLogP4.02
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45492112
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
4-(4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)thiadiazole-5-carboxamide
CID 100746505
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 28948361
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
N-[4-(1-cyanocyclopropyl)phenyl]-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255378
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-methylbutanoate
CID 45495391
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)thiadiazole-5-carboxamide
CID 100750933
[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 45492013

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide (CID 100775097) is N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is COc1ccc(-c2nnsc2C(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1.
What is the InChIKey of N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is BXXIURMUPPQJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-16-8-2-13(3-9-16)17-18(27-24-23-17)19(25)22-15-6-4-14(5-7-15)20(12-21)10-11-20/h2-9H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide?
N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyanocyclopropyl)phenyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100775097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).