N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide

C14H16N4O2S — CID 39573959

IUPACN-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H16N4O2S/c1-3-12-13(21-18-17-12)14(20)15-8-10-5-4-6-11(7-10)16-9(2)19/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyKLHTWILNJQIZKV-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.99
Rot. Bonds5

About N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide

N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 39573959) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID39573959
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H16N4O2S/c1-3-12-13(21-18-17-12)14(20)15-8-10-5-4-6-11(7-10)16-9(2)19/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,19)
InChIKeyKLHTWILNJQIZKV-UHFFFAOYSA-N
XLogP1.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 39516489
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
N-[4-(3-acetamidophenoxy)but-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90577411
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 47369409
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(hydroxymethyl)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204481
4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
CID 30768888

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide (CID 39573959) is N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is KLHTWILNJQIZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-12-13(21-18-17-12)14(20)15-8-10-5-4-6-11(7-10)16-9(2)19/h4-7H,3,8H2,1-2H3,(H,15,20)(H,16,19).
What are the key properties of N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide?
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 39573959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).