N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide

C15H19N3OS — CID 97224985

IUPACN-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide
SMILESCC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cnns1
InChIInChI=1S/C15H19N3OS/c1-3-13(10-12-8-6-5-7-9-12)18(4-2)15(19)14-11-16-17-20-14/h5-9,11,13H,3-4,10H2,1-2H3/t13-/m0/s1
InChIKeySMZHVJRHJSVWPZ-ZDUSSCGKSA-N
MW289.40 g/mol
LogP3.02
Rot. Bonds6

About N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide

N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide (PubChem CID 97224985) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide
PubChem CID97224985
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide
SMILESCC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cnns1
InChIInChI=1S/C15H19N3OS/c1-3-13(10-12-8-6-5-7-9-12)18(4-2)15(19)14-11-16-17-20-14/h5-9,11,13H,3-4,10H2,1-2H3/t13-/m0/s1
InChIKeySMZHVJRHJSVWPZ-ZDUSSCGKSA-N
XLogP3.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide (CID 97224985) is N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide is CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cnns1.
What is the InChIKey of N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide?
The InChIKey is SMZHVJRHJSVWPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-13(10-12-8-6-5-7-9-12)18(4-2)15(19)14-11-16-17-20-14/h5-9,11,13H,3-4,10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide?
N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-phenylbutan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 97224985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).