4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide

C14H16N4O2S — CID 32918388

IUPAC4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cccc(C(=O)NC)c1
InChIInChI=1S/C14H16N4O2S/c1-3-11-12(21-18-17-11)14(20)16-8-9-5-4-6-10(7-9)13(19)15-2/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyAMHDNZKFQDPBCJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.39
Rot. Bonds5

About 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide (PubChem CID 32918388) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide
PubChem CID32918388
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cccc(C(=O)NC)c1
InChIInChI=1S/C14H16N4O2S/c1-3-11-12(21-18-17-11)14(20)16-8-9-5-4-6-10(7-9)13(19)15-2/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyAMHDNZKFQDPBCJ-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide (CID 32918388) is 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1cccc(C(=O)NC)c1.
What is the InChIKey of 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is AMHDNZKFQDPBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-11-12(21-18-17-11)14(20)16-8-9-5-4-6-10(7-9)13(19)15-2/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 32918388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).