N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

C12H13N3O2S — CID 100746623

IUPACN-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCCNC(=O)c1snnc1-c1cccc(OC)c1
InChIInChI=1S/C12H13N3O2S/c1-3-13-12(16)11-10(14-15-18-11)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeySKGPUKKBRFZZBS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.96
Rot. Bonds4

About N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 100746623) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID100746623
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCCNC(=O)c1snnc1-c1cccc(OC)c1
InChIInChI=1S/C12H13N3O2S/c1-3-13-12(16)11-10(14-15-18-11)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeySKGPUKKBRFZZBS-UHFFFAOYSA-N
XLogP1.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441
N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747205
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
ethyl 4-[4-(3-methoxyphenyl)thiadiazole-5-carbonyl]piperazine-1-carboxylate
CID 100747382
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
N-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45491902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (CID 100746623) is N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is CCNC(=O)c1snnc1-c1cccc(OC)c1.
What is the InChIKey of N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is SKGPUKKBRFZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-13-12(16)11-10(14-15-18-11)8-5-4-6-9(7-8)17-2/h4-7H,3H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100746623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).