N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide

C19H19N3OS — CID 96996379

IUPACN-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-2-16-18(24-22-21-16)19(23)20-17(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyCQPSXFFORIDKCC-KRWDZBQOSA-N
MW337.45 g/mol
LogP3.81
Rot. Bonds6

About N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide

N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 96996379) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID96996379
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-2-16-18(24-22-21-16)19(23)20-17(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyCQPSXFFORIDKCC-KRWDZBQOSA-N
XLogP3.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
CID 39966907
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204140
4-ethyl-N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]thiadiazole-5-carboxamide
CID 136907963
(2S)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 65206273
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1,2-diphenylethylurea
CID 2853470
N-[(2S)-1-aminopropan-2-yl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120505502
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-[(1R)-1,2-diphenylethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 52529905

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide (CID 96996379) is N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is CQPSXFFORIDKCC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-16-18(24-22-21-16)19(23)20-17(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide?
N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 96996379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).