4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide

C14H17N3O2S — CID 33067113

IUPAC4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccccc1COC
InChIInChI=1S/C14H17N3O2S/c1-3-12-13(20-17-16-12)14(18)15-8-10-6-4-5-7-11(10)9-19-2/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeySWIJILFVIQNMAN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.18
Rot. Bonds6

About 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide (PubChem CID 33067113) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide
PubChem CID33067113
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccccc1COC
InChIInChI=1S/C14H17N3O2S/c1-3-12-13(20-17-16-12)14(18)15-8-10-6-4-5-7-11(10)9-19-2/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeySWIJILFVIQNMAN-UHFFFAOYSA-N
XLogP2.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 49172868
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 24668930
4-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 39966669
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 39573959
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263
N-[[2-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 32603825
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide
CID 37156613

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide (CID 33067113) is 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1ccccc1COC.
What is the InChIKey of 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is SWIJILFVIQNMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-12-13(20-17-16-12)14(18)15-8-10-6-4-5-7-11(10)9-19-2/h4-7H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 33067113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).