N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide

C16H20FN3O2S — CID 97428353

IUPACN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC[C@](C)(OC)c1ccccc1F
InChIInChI=1S/C16H20FN3O2S/c1-4-7-13-14(23-20-19-13)15(21)18-10-16(2,22-3)11-8-5-6-9-12(11)17/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,21)/t16-/m0/s1
InChIKeyQEROFOCUVFUDKN-INIZCTEOSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds7

About N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide

N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 97428353) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide
PubChem CID97428353
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC[C@](C)(OC)c1ccccc1F
InChIInChI=1S/C16H20FN3O2S/c1-4-7-13-14(23-20-19-13)15(21)18-10-16(2,22-3)11-8-5-6-9-12(11)17/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,21)/t16-/m0/s1
InChIKeyQEROFOCUVFUDKN-INIZCTEOSA-N
XLogP2.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 45561124
N-(2-hydroxy-2-phenylpropyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 56765338
(4-Ethylthiadiazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 45808449
4-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide
CID 47071323
4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide
CID 47071326
(4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 51895185
(4-Propyl-1,2,3-thiadiazol-5-yl)(2-(4-(trifluoromethyl)phenyl)morpholino)methanone
CID 56763882
N-{2-Hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 71788637
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 97553347
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 100751090
[2-(2,5-Dimethylphenyl)-5-methylmorpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121549806
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8285981

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide (CID 97428353) is N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC[C@](C)(OC)c1ccccc1F.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is QEROFOCUVFUDKN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-4-7-13-14(23-20-19-13)15(21)18-10-16(2,22-3)11-8-5-6-9-12(11)17/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide?
N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 97428353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).